[1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate

Systemtic Name: [1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(2,5-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] 2-(2,5-dimethylphenyl)sulfanylacetate CAS Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(2,5-dimethylphenyl)thio]acetic acid [2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)OC(C)C(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O4S/c1-13-5-6-14(2)19(11-13)28-12-20(25)27-15(3)21(26)23-18-9-7-17(8-10-18)22-16(4)24/h5-11,15H,12H2,1-4H3,(H,22,24)(H,23,26)