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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C21H23NO5S/c1-15-3-9-18(10-4-15)28-12-11-20(24)27-14-19(23)22-13-16-5-7-17(8-6-16)21(25)26-2/h3-10H,11-14H2,1-2H3,(H,22,23)