propan-2-yl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate

Systemtic Name: propan-2-yl 4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)benzoate Openeye Name: isopropyl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]benzoic acid isopropyl ester Formula: C17H22N2O3S2 MolecularWeight: 366.49818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S2/c1-12(2)22-16(21)13-5-7-14(8-6-13)18-15(20)11-24-17(23)19-9-3-4-10-19/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,20)