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

Systemtic Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid Openeye Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid CAS Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid IUPAC Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid Traditional Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propionic acid Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(CCC3=C(S2)N=CC=C3)C=C1)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(CCC3=C(S2)N=CC=C3)C=C1)C(=O)O

InChI

InChI=1S/C16H15NO2S/c1-10(16(18)19)13-7-5-11-4-6-12-3-2-8-17-15(12)20-14(11)9-13/h2-3,5,7-10H,4,6H2,1H3,(H,18,19)