(5-methoxycarbonylfuran-2-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)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 (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-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 (5-carbomethoxy-2-furyl)methyl ester Formula: C17H15NO6S MolecularWeight: 361.3691

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C17H15NO6S/c1-22-17(21)13-4-3-11(24-13)9-23-16(20)10-2-5-14-12(8-10)18-15(19)6-7-25-14/h2-5,8H,6-7,9H2,1H3,(H,18,19)