ethyl 4-(2-methylpropyl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H26N2O3S3 MolecularWeight: 414.60564

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC(=S)N2CCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)CSC(=S)N2CCCC2

InChI

InChI=1S/C18H26N2O3S3/c1-4-23-17(22)15-13(9-12(2)3)10-25-16(15)19-14(21)11-26-18(24)20-7-5-6-8-20/h10,12H,4-9,11H2,1-3H3,(H,19,21)