dimethyl 5-azanyl-3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-(pyrrolidine-1-carbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[1-pyrrolidinyl(sulfanylidene)methyl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-(pyrrolidine-1-carbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(pyrrolidine-1-carbothioylthio)methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C14H18N2O4S3 MolecularWeight: 374.49872

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1CSC(=S)N2CCCC2)C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1CSC(=S)N2CCCC2)C(=O)OC)N

InChI

InChI=1S/C14H18N2O4S3/c1-19-12(17)9-8(10(13(18)20-2)23-11(9)15)7-22-14(21)16-5-3-4-6-16/h3-7,15H2,1-2H3