methyl 2-(6-oxidanylidene-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propanoate

Systemtic Name: methyl 2-(6-oxidanylidene-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propanoate Openeye Name: methyl 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propanoate CAS Name: 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propanoic acid methyl ester IUPAC Name: methyl 2-(6-oxo-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propanoate Traditional Name: 2-(6-keto-5H-[1]benzothiepino[2,3-b]pyridin-8-yl)propionic acid methyl ester Formula: C17H15NO3S MolecularWeight: 313.3709

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=CC=N3)C(=O)OC

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=CC=N3)C(=O)OC

InChI

InChI=1S/C17H15NO3S/c1-10(17(20)21-2)11-5-6-15-13(8-11)14(19)9-12-4-3-7-18-16(12)22-15/h3-8,10H,9H2,1-2H3