methyl 4-methyl-3-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[methyl-[4-(methylthio)benzyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C20H24N2O3S/c1-14-5-8-16(20(24)25-3)11-18(14)21-19(23)13-22(2)12-15-6-9-17(26-4)10-7-15/h5-11H,12-13H2,1-4H3,(H,21,23)