methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-6-phenyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(CC(=CC1=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1C(CC(=CC1=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O3S/c1-28-23(27)21-17(14-7-3-2-4-8-14)11-15(12-19(21)26)25-22-18(13-24)16-9-5-6-10-20(16)29-22/h2-4,7-8,12,17,21,25H,5-6,9-11H2,1H3