dimethyl 3-methyl-5-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H20N2O5S3 MolecularWeight: 416.5354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC(=S)N2CCCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CSC(=S)N2CCCC2)C(=O)OC

InChI

InChI=1S/C16H20N2O5S3/c1-9-11(14(20)22-2)13(26-12(9)15(21)23-3)17-10(19)8-25-16(24)18-6-4-5-7-18/h4-8H2,1-3H3,(H,17,19)