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

Systemtic Name: ethyl 2-[(1-oxidanylidene-3,3-diphenyl-4H-isochromen-6-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1-oxo-3,3-diphenyl-isochromane-6-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 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 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]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C33H29NO5S MolecularWeight: 551.65206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)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=C1CCCC2)NC(=O)C3=CC4=C(C=C3)C(=O)OC(C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C33H29NO5S/c1-2-38-32(37)28-26-15-9-10-16-27(26)40-30(28)34-29(35)21-17-18-25-22(19-21)20-33(39-31(25)36,23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-8,11-14,17-19H,2,9-10,15-16,20H2,1H3,(H,34,35)