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

Systemtic Name: 4-(5-oxidanylidenepyrido[2,3-b][1,5]benzothiazepin-6-yl)butanoic acid Openeye Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanoic acid CAS Name: 4-(5-oxo-6-pyrido[2,3-b][1,5]benzothiazepinyl)butanoic acid IUPAC Name: 4-(5-oxopyrido[2,3-b][1,5]benzothiazepin-6-yl)butanoic acid Traditional Name: 4-(5-ketopyrido[2,3-b][1,5]benzothiazepin-6-yl)butyric acid Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c19-14(20)8-4-10-18-12-6-1-2-7-13(12)22-15-11(16(18)21)5-3-9-17-15/h1-3,5-7,9H,4,8,10H2,(H,19,20)