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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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