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

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)CCSC2=CC(=C(C=C2)C)C)C

InChI

InChI=1S/C22H27NO3S/c1-5-18-8-6-7-16(3)22(18)23-20(24)14-26-21(25)11-12-27-19-10-9-15(2)17(4)13-19/h6-10,13H,5,11-12,14H2,1-4H3,(H,23,24)