ethyl 4-[(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)sulfamoyl]benzoate

Systemtic Name: ethyl 4-[(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)sulfamoyl]benzoate Openeye Name: ethyl 4-[[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]sulfamoyl]benzoate CAS Name: 4-[[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]sulfamoyl]benzoate Traditional Name: 4-[[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]sulfamoyl]benzoic acid ethyl ester Formula: C16H21N3O5S3 MolecularWeight: 431.55004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S3/c1-2-24-15(21)12-5-7-13(8-6-12)27(22,23)18-17-14(20)11-26-16(25)19-9-3-4-10-19/h5-8,18H,2-4,9-11H2,1H3,(H,17,20)