[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate CAS Name: (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Traditional Name: (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H19N3O3S/c1-12-2-4-17-15(8-12)16-9-13(3-5-18(16)23-17)21(26)27-11-19(25)24-20-14(10-22)6-7-28-20/h3,5-7,9,12,23H,2,4,8,11H2,1H3,(H,24,25)/t12-/m0/s1