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

Systemtic Name: (4-methoxycarbonyl-5-methyl-furan-2-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4-methoxycarbonyl-5-methyl-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 (4-methoxycarbonyl-5-methyl-2-furanyl)methyl ester IUPAC Name: (4-methoxycarbonyl-5-methylfuran-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 (4-carbomethoxy-5-methyl-2-furyl)methyl ester Formula: C18H17NO6S MolecularWeight: 375.39568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C(=O)OC

InChI

InChI=1S/C18H17NO6S/c1-10-13(18(22)23-2)8-12(25-10)9-24-17(21)11-3-4-15-14(7-11)19-16(20)5-6-26-15/h3-4,7-8H,5-6,9H2,1-2H3,(H,19,20)