methyl 2-[2-[methyl(2-phenylsulfanylpropanoyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl(2-phenylsulfanylpropanoyl)amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl(2-phenylsulfanylpropanoyl)amino]acetyl]amino]benzoate CAS Name: 2-[[2-[methyl-[1-oxo-2-(phenylthio)propyl]amino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl(2-phenylsulfanylpropanoyl)amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[methyl-[2-(phenylthio)propanoyl]amino]acetyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)N(C)CC(=O)NC1=CC=CC=C1C(=O)OC)SC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O4S/c1-14(27-15-9-5-4-6-10-15)19(24)22(2)13-18(23)21-17-12-8-7-11-16(17)20(25)26-3/h4-12,14H,13H2,1-3H3,(H,21,23)