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

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (5-phenylisoxazol-3-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 (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-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-phenylisoxazol-3-yl)methyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=NOC(=C3)C4=CC=CC=C4)NC1=O

InChI

InChI=1S/C20H16N2O4S/c23-19-8-9-27-18-7-6-14(10-16(18)21-19)20(24)25-12-15-11-17(26-22-15)13-4-2-1-3-5-13/h1-7,10-11H,8-9,12H2,(H,21,23)