3-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)carbonyloxy]propanoic acid

Systemtic Name: 3-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-9-yl)carbonyloxy]propanoic acid Openeye Name: 3-(6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carbonyl)oxypropanoic acid CAS Name: 3-[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-9-yl)methoxy]propanoic acid IUPAC Name: 3-(6-oxo-5H-benzo[b][1,4]benzothiazepine-9-carbonyl)oxypropanoic acid Traditional Name: 3-(6-keto-5H-benzo[b][1,4]benzothiazepine-9-carbonyl)oxypropionic acid Formula: C17H13NO5S MolecularWeight: 343.35382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)C(=O)OCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=O)C3=C(S2)C=C(C=C3)C(=O)OCCC(=O)O

InChI

InChI=1S/C17H13NO5S/c19-15(20)7-8-23-17(22)10-5-6-11-14(9-10)24-13-4-2-1-3-12(13)18-16(11)21/h1-6,9H,7-8H2,(H,18,21)(H,19,20)