[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H17N3O4S/c1-12-4-2-3-5-14(12)19-22-18(27-23-19)11-26-20(25)13-6-7-16-15(10-13)21-17(24)8-9-28-16/h2-7,10H,8-9,11H2,1H3,(H,21,24)