methyl 3-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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