methyl 2-[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]acetyl]amino]benzoate CAS Name: 2-[[2-[3-[(3,4-dimethylphenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]acetyl]amino]benzoate Traditional Name: 2-[[2-[3-[(3,4-dimethylphenyl)thio]propanoyloxy]acetyl]amino]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C21H23NO5S/c1-14-8-9-16(12-15(14)2)28-11-10-20(24)27-13-19(23)22-18-7-5-4-6-17(18)21(25)26-3/h4-9,12H,10-11,13H2,1-3H3,(H,22,23)