methyl 4-(4-methylphenyl)-2,3-bis(oxidanylidene)-1-phenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2,3-bis(oxidanylidene)-1-phenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate Openeye Name: methyl 2,3-dioxo-1-phenyl-4-(p-tolyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate CAS Name: 4-(4-methylphenyl)-2,3-dioxo-1-phenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2,3-dioxo-1-phenyl-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylate Traditional Name: 2,3-diketo-1-phenyl-4-(p-tolyl)-5H-pyrrolo[2,3-b][1,5]benzothiazepine-10a-carboxylic acid methyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=O)C(=O)N(C3(SC4=CC=CC=C4N2)C(=O)OC)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=O)C(=O)N(C3(SC4=CC=CC=C4N2)C(=O)OC)C5=CC=CC=C5

InChI

InChI=1S/C26H20N2O4S/c1-16-12-14-17(15-13-16)22-21-23(29)24(30)28(18-8-4-3-5-9-18)26(21,25(31)32-2)33-20-11-7-6-10-19(20)27-22/h3-15,27H,1-2H3