[1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate

Systemtic Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxidanylidene-butan-2-yl] 2-methyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylate Openeye Name: 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl 2-methyl-1-oxo-4-phenyl-isoquinoline-3-carboxylate CAS Name: 2-methyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1-oxobutan-2-yl] 2-methyl-1-oxo-4-phenylisoquinoline-3-carboxylate Traditional Name: 1-keto-2-methyl-4-phenyl-isoquinoline-3-carboxylic acid 1-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propyl ester Formula: C34H35N3O4S MolecularWeight: 581.7244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)OC(=O)C3=C(C4=CC=CC=C4C(=O)N3C)C5=CC=CC=C5

InChI

InChI=1S/C34H35N3O4S/c1-6-26(30(38)36-31-25(19-35)22-17-16-21(34(2,3)4)18-27(22)42-31)41-33(40)29-28(20-12-8-7-9-13-20)23-14-10-11-15-24(23)32(39)37(29)5/h7-15,21,26H,6,16-18H2,1-5H3,(H,36,38)