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

Systemtic Name: methyl 3-[2-[[4-(3,4-dimethylphenyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(3,4-dimethylphenyl)sulfanylanilino]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[4-[(3,4-dimethylphenyl)thio]anilino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CSCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)CSCCC(=O)OC)C

InChI

InChI=1S/C20H23NO3S2/c1-14-4-7-18(12-15(14)2)26-17-8-5-16(6-9-17)21-19(22)13-25-11-10-20(23)24-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)