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

Systemtic Name: [2-[(3-aminocarbonylthiophen-2-yl)amino]-2-oxidanylidene-ethyl] (6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate Openeye Name: [2-[(3-carbamoyl-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-carbamoyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-carbamoylthiophen-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-carbamoyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-11-2-4-16-14(8-11)15-9-12(3-5-17(15)23-16)21(27)28-10-18(25)24-20-13(19(22)26)6-7-29-20/h3,5-7,9,11,23H,2,4,8,10H2,1H3,(H2,22,26)(H,24,25)/t11-/m0/s1