SARS-CoV-2 3CLpro-IN-16

Category	SARS-CoV
CAS	352659-40-6

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Synonyms	SARS-CoV-2 3CLpro-IN-16;1-(10,11-Dihydro-dibenzo[b,f]azepin-5-yl)-2-thiocyanato-ethanone;2-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-2-oxoethyl thiocyanate;352659-40-6;Oprea1_028619;Oprea1_608193;MLS000564528;CHEMBL1488059;HMS1675C02;HMS2547L20;[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] thiocyanate;CCG-17593;STK039627;AKOS000621974;SMR000177353;HY-155979;CS-0890749;EU-0006755;AJ-292/14596076;SR-01000450489;SR-01000450489-1;1-{2-AZATRICYCLO[9.4.0.0(3),?]PENTADECA-1(11),3,5,7,12,14-HEXAEN-2-YL}-2-(CYANOSULFANYL)ETHANONE;
IUPAC Name	[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] thiocyanate
Molecular Weight	553.7
Molecular Formula	C35H31N5O2
Canonical SMILES	C[C@@H](C1=CC2=CC=CC=C2C=C1)NC(=O)C3=C4C(=CC=C3)N=C(N4C5CC(C5)C(=O)NC)C6=CN=CC7=CC=CC=C76
InChI	InChI=1S/C17H14N2OS/c18-12-21-11-17(20)19-15-7-3-1-5-13(15)9-10-14-6-2-4-8-16(14)19/h1-8H,9-11H2
InChIKey	BWJPRMXKIWYPAB-UHFFFAOYSA-N
Storage	Please store the product under the recommended conditions in the Certificate of Analysis.