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

Systemtic Name: ethyl 2-[(4-ethoxycarbonyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(4-ethoxycarbonyl-3-oxo-5-phenyl-cyclohexen-1-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[(4-ethoxycarbonyl-3-oxo-5-phenyl-1-cyclohexenyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-ethoxycarbonyl-3-oxo-5-phenylcyclohexen-1-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(4-carbethoxy-3-keto-5-phenyl-cyclohexen-1-yl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H29NO5S MolecularWeight: 467.57716

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO5S/c1-3-31-25(29)22-19(16-10-6-5-7-11-16)14-17(15-20(22)28)27-24-23(26(30)32-4-2)18-12-8-9-13-21(18)33-24/h5-7,10-11,15,19,22,27H,3-4,8-9,12-14H2,1-2H3