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

Systemtic Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-6-(3-methoxyphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-keto-6-(3-methoxyphenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N2O4S/c1-3-31-25(29)23-19(15-7-6-8-17(11-15)30-2)12-16(13-21(23)28)27-24-20(14-26)18-9-4-5-10-22(18)32-24/h6-8,11,13,19,23,27H,3-5,9-10,12H2,1-2H3