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

Systemtic Name: [1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-methyl-4-oxidanylidene-pyridin-3-yl] benzoate Openeye Name: [1-(4,5-dihydrothiazol-2-ylmethyl)-2-methyl-4-oxo-3-pyridyl] benzoate CAS Name: benzoic acid [1-(4,5-dihydrothiazol-2-ylmethyl)-2-methyl-4-oxo-3-pyridinyl] ester IUPAC Name: [1-(4,5-dihydro-1,3-thiazol-2-ylmethyl)-2-methyl-4-oxopyridin-3-yl] benzoate Traditional Name: benzoic acid [4-keto-2-methyl-1-(2-thiazolin-2-ylmethyl)-3-pyridyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CC2=NCCS2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C=CN1CC2=NCCS2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H16N2O3S/c1-12-16(22-17(21)13-5-3-2-4-6-13)14(20)7-9-19(12)11-15-18-8-10-23-15/h2-7,9H,8,10-11H2,1H3