[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-methyl-5-(methylamino)isothiazole-4-carboxylate CAS Name: 3-methyl-5-(methylamino)-4-isothiazolecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate Traditional Name: 3-methyl-5-(methylamino)isothiazole-4-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SN=C2C)NC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SN=C2C)NC

InChI

InChI=1S/C16H18N2O3S/c1-4-11-5-7-12(8-6-11)13(19)9-21-16(20)14-10(2)18-22-15(14)17-3/h5-8,17H,4,9H2,1-3H3