ethyl 2-[[4-ethoxycarbonyl-5-(3-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-ethoxycarbonyl-5-(3-methoxyphenyl)-3-oxidanylidene-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[4-ethoxycarbonyl-5-(3-methoxyphenyl)-3-oxo-cyclohexen-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[4-ethoxycarbonyl-5-(3-methoxyphenyl)-3-oxo-1-cyclohexenyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-ethoxycarbonyl-5-(3-methoxyphenyl)-3-oxocyclohexen-1-yl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[4-carbethoxy-3-keto-5-(3-methoxyphenyl)cyclohexen-1-yl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-4-33-26(30)23-20(16-9-8-10-18(13-16)32-3)14-17(15-21(23)29)28-25-24(27(31)34-5-2)19-11-6-7-12-22(19)35-25/h8-10,13,15,20,23,28H,4-7,11-12,14H2,1-3H3