[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylacetate CAS Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(3,4-dimethylphenyl)thio]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CSC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C21H25NO3S/c1-5-17-8-6-7-15(3)21(17)22-19(23)12-25-20(24)13-26-18-10-9-14(2)16(4)11-18/h6-11H,5,12-13H2,1-4H3,(H,22,23)