[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 2-[2-(3-pyridyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-pyridinyl)-4-thiazolyl]acetic acid [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-pyridyl)thiazol-4-yl]acetic acid [(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)CC2=CSC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-3-15-6-8-16(9-7-15)20(25)14(2)26-19(24)11-18-13-27-21(23-18)17-5-4-10-22-12-17/h4-10,12-14H,3,11H2,1-2H3/t14-/m0/s1