[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C22H22N2O3S2/c1-3-16-5-4-6-18(11-16)24-21(25)12-27-22(26)17-7-9-20(10-8-17)29-14-19-13-28-15(2)23-19/h4-11,13H,3,12,14H2,1-2H3,(H,24,25)