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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC2=NC(=CS2)COC(=O)CSC3=CC=CC=C3

InChI

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