2-(6-oxidanylidene-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid

Systemtic Name: 2-(6-oxidanylidene-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid Openeye Name: 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid CAS Name: 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid IUPAC Name: 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid Traditional Name: 2-(6-keto-5H-[1]benzothiepino[2,3-b]pyridin-9-yl)propionic acid Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)CC3=C(S2)N=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)CC3=C(S2)N=CC=C3)C(=O)O

InChI

InChI=1S/C16H13NO3S/c1-9(16(19)20)10-4-5-12-13(18)7-11-3-2-6-17-15(11)21-14(12)8-10/h2-6,8-9H,7H2,1H3,(H,19,20)