3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanoic acid

Systemtic Name: 3-(6-oxidanylidenepyrido[2,3-b][1,4]benzothiazepin-5-yl)propanoic acid Openeye Name: 3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanoic acid CAS Name: 3-(6-oxo-5-pyrido[2,3-b][1,4]benzothiazepinyl)propanoic acid IUPAC Name: 3-(6-oxopyrido[2,3-b][1,4]benzothiazepin-5-yl)propanoic acid Traditional Name: 3-(6-ketopyrido[2,3-b][1,4]benzothiazepin-5-yl)propionic acid Formula: C15H12N2O3S MolecularWeight: 300.33238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C3=C(S2)N=CC=C3)CCC(=O)O

InChI

InChI=1S/C15H12N2O3S/c18-13(19)7-9-17-11-5-3-8-16-14(11)21-12-6-2-1-4-10(12)15(17)20/h1-6,8H,7,9H2,(H,18,19)