methyl 4-[[2-(2-hydroxyethylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(2-hydroxyethylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(2-hydroxyethylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(2-hydroxyethylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-hydroxyethylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-hydroxyethylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCCO

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSCCO

InChI

InChI=1S/C13H17NO4S/c1-18-13(17)11-4-2-10(3-5-11)8-14-12(16)9-19-7-6-15/h2-5,15H,6-9H2,1H3,(H,14,16)