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

Systemtic Name: diethyl 5-azanyl-3-(pyrrolidin-1-ylcarbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 5-amino-3-(pyrrolidine-1-carbothioylsulfanylmethyl)thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(pyrrolidine-1-carbothioylthio)methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C16H22N2O4S3 MolecularWeight: 402.55188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC(=S)N2CCCC2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC(=S)N2CCCC2)C(=O)OCC)N

InChI

InChI=1S/C16H22N2O4S3/c1-3-21-14(19)11-10(9-24-16(23)18-7-5-6-8-18)12(25-13(11)17)15(20)22-4-2/h3-9,17H2,1-2H3