[1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-ethyl-4-oxidanylidene-pyridin-3-yl] benzoate

Systemtic Name: [1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-ethyl-4-oxidanylidene-pyridin-3-yl] benzoate Openeye Name: [1-(4,5-dihydrothiazol-2-ylmethyl)-2-ethyl-4-oxo-3-pyridyl] benzoate CAS Name: benzoic acid [1-(4,5-dihydrothiazol-2-ylmethyl)-2-ethyl-4-oxo-3-pyridinyl] ester IUPAC Name: [1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-ethyl-4-oxopyridin-3-yl] benzoate Traditional Name: benzoic acid [2-ethyl-4-keto-1-(2-thiazolin-2-ylmethyl)-3-pyridyl] ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=CN1CC2=NCCS2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=O)C=CN1CC2=NCCS2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O3S/c1-2-14-17(23-18(22)13-6-4-3-5-7-13)15(21)8-10-20(14)12-16-19-9-11-24-16/h3-8,10H,2,9,11-12H2,1H3