(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC(=NO3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC(=NO3)C

InChI

InChI=1S/C21H20N2O4S/c1-14-7-9-16(10-8-14)22-20(24)13-28-19-6-4-3-5-18(19)21(25)26-12-17-11-15(2)23-27-17/h3-11H,12-13H2,1-2H3,(H,22,24)