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

Systemtic Name: [3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-methoxyphenyl)-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-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=N2)COC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H17N3O5S/c1-26-14-4-2-3-12(9-14)19-22-18(28-23-19)11-27-20(25)13-5-6-16-15(10-13)21-17(24)7-8-29-16/h2-6,9-10H,7-8,11H2,1H3,(H,21,24)