(5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC=C(N3C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=NC=C(N3C)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-14-7-9-15(10-8-14)24-20(26)13-29-17-6-4-3-5-16(17)21(27)28-12-19-23-11-18(22)25(19)2/h3-11H,12-13H2,1-2H3,(H,24,26)