[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3O3S/c22-16(21-8-3-1-2-4-9-21)12-24-17(23)10-15-13-25-18(20-15)14-6-5-7-19-11-14/h5-7,11,13H,1-4,8-10,12H2