methyl 4-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(2-chloro-5-methylsulfanyl-benzoyl)-methyl-amino]methyl]benzoate CAS Name: 4-[[[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-chloro-5-methylsulfanylbenzoyl)-methylamino]methyl]benzoate Traditional Name: 4-[[[2-chloro-5-(methylthio)benzoyl]-methyl-amino]methyl]benzoic acid methyl ester Formula: C18H18ClNO3S MolecularWeight: 363.85842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)OC)C(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C18H18ClNO3S/c1-20(11-12-4-6-13(7-5-12)18(22)23-2)17(21)15-10-14(24-3)8-9-16(15)19/h4-10H,11H2,1-3H3