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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)CCSC2=CC=CC=C2Cl

InChI

InChI=1S/C20H20ClNO5S/c1-26-20(25)15-8-6-14(7-9-15)12-22-18(23)13-27-19(24)10-11-28-17-5-3-2-4-16(17)21/h2-9H,10-13H2,1H3,(H,22,23)