methyl 4-[(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: methyl 4-[(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C16H20N2O3S2/c1-21-15(20)13-6-4-12(5-7-13)10-17-14(19)11-23-16(22)18-8-2-3-9-18/h4-7H,2-3,8-11H2,1H3,(H,17,19)