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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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