ethyl 6-methyl-2-[(1-oxidanylidene-3,3-diphenyl-4H-isochromen-6-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-methyl-2-[(1-oxidanylidene-3,3-diphenyl-4H-isochromen-6-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-methyl-2-[(1-oxo-3,3-diphenyl-isochromane-6-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[oxo-(1-oxo-3,3-diphenyl-3,4-dihydro-1H-2-benzopyran-6-yl)methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-[(1-oxo-3,3-diphenyl-4H-isochromene-6-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1-keto-3,3-diphenyl-isochroman-6-carbonyl)amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C34H31NO5S MolecularWeight: 565.67864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C34H31NO5S/c1-3-39-33(38)29-27-16-14-21(2)18-28(27)41-31(29)35-30(36)22-15-17-26-23(19-22)20-34(40-32(26)37,24-10-6-4-7-11-24)25-12-8-5-9-13-25/h4-13,15,17,19,21H,3,14,16,18,20H2,1-2H3,(H,35,36)