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

Systemtic Name: methyl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzoic acid methyl ester Formula: C15H18N2O3S2 MolecularWeight: 338.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S2/c1-20-14(19)11-4-6-12(7-5-11)16-13(18)10-22-15(21)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,16,18)