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

Systemtic Name: methyl 3-[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[3-[(3,4-dimethylphenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(3,4-dimethylphenyl)sulfanylpropanoyloxy]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[3-[(3,4-dimethylphenyl)thio]propanoyloxy]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C)C

InChI

InChI=1S/C22H25NO5S/c1-14-6-8-18(11-16(14)3)29-10-9-21(25)28-13-20(24)23-19-12-17(22(26)27-4)7-5-15(19)2/h5-8,11-12H,9-10,13H2,1-4H3,(H,23,24)