methyl 4-methyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-methyl-3-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-methyl-3-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-methyl-3-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzoic acid methyl ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C16H20N2O3S2/c1-11-5-6-12(15(20)21-2)9-13(11)17-14(19)10-23-16(22)18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,17,19)