[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylethanoate

Systemtic Name: [2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylethanoate Openeye Name: [2-[2-(4-methylanilino)-2-oxo-ethyl]thiazol-4-yl]methyl 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[2-(4-methylanilino)-2-oxoethyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-[2-keto-2-(p-toluidino)ethyl]thiazol-4-yl]methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)COC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-15-7-9-16(10-8-15)22-19(24)11-20-23-17(13-28-20)12-26-21(25)14-27-18-5-3-2-4-6-18/h2-10,13H,11-12,14H2,1H3,(H,22,24)