methyl 7-methoxy-2-[(3-phenoxyphenyl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate

Systemtic Name: methyl 7-methoxy-2-[(3-phenoxyphenyl)carbonylamino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Openeye Name: methyl 7-methoxy-2-[(3-phenoxybenzoyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylate CAS Name: 7-methoxy-2-[[oxo-(3-phenoxyphenyl)methyl]amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylic acid methyl ester IUPAC Name: methyl 7-methoxy-2-[(3-phenoxybenzoyl)amino]-4,5-dihydrobenzo[e][1]benzothiole-1-carboxylate Traditional Name: 7-methoxy-2-[(3-phenoxybenzoyl)amino]-4,5-dihydrobenzo[e]benzothiophene-1-carboxylic acid methyl ester Formula: C28H23NO5S MolecularWeight: 485.55092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=C3C(=O)OC)NC(=O)C4=CC(=CC=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H23NO5S/c1-32-20-12-13-22-17(15-20)11-14-23-24(22)25(28(31)33-2)27(35-23)29-26(30)18-7-6-10-21(16-18)34-19-8-4-3-5-9-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H,29,30)