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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-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 (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-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 (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C16H16N2O4S/c1-9-12(10(2)22-18-9)8-21-16(20)11-3-4-14-13(7-11)17-15(19)5-6-23-14/h3-4,7H,5-6,8H2,1-2H3,(H,17,19)