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

Systemtic Name: methyl 3-[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]ethanoylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]-4-methyl-benzoate CAS Name: 3-[[2-[3-[(2-chlorophenyl)thio]-1-oxopropoxy]-1-oxoethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(2-chlorophenyl)sulfanylpropanoyloxy]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[3-[(2-chlorophenyl)thio]propanoyloxy]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)COC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClNO5S/c1-13-7-8-14(20(25)26-2)11-16(13)22-18(23)12-27-19(24)9-10-28-17-6-4-3-5-15(17)21/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)