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

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 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-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 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-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)NC1=O

InChI

InChI=1S/C20H19N3O4S/c24-18-8-11-28-17-7-6-13(12-15(17)21-18)19(25)27-10-3-9-23-16-5-2-1-4-14(16)22-20(23)26/h1-2,4-7,12H,3,8-11H2,(H,21,24)(H,22,26)