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

Systemtic Name: ethyl 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoate Openeye Name: ethyl 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoate CAS Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propanoate Traditional Name: 2-(5,6-dihydro-[1]benzothiepino[2,3-b]pyridin-9-yl)propionic acid ethyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-3-21-18(20)12(2)15-9-7-13-6-8-14-5-4-10-19-17(14)22-16(13)11-15/h4-5,7,9-12H,3,6,8H2,1-2H3