2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butanoic acid

Systemtic Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butanoic acid Openeye Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butanoic acid CAS Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butanoic acid IUPAC Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butanoic acid Traditional Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-8-yl)butyric acid Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-2-14(17(19)20)12-7-8-15-13(10-12)6-5-11-4-3-9-18-16(11)21-15/h3-4,7-10,14H,2,5-6H2,1H3,(H,19,20)