(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-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 (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-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 (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H16ClNO5S MolecularWeight: 405.85204

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4)NC1=O

InChI

InChI=1S/C19H16ClNO5S/c20-14-5-12-8-24-10-26-18(12)13(6-14)9-25-19(23)11-1-2-16-15(7-11)21-17(22)3-4-27-16/h1-2,5-7H,3-4,8-10H2,(H,21,22)