ethyl 2,5-dimethyl-4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-(pyrrolidine-1-carbothioylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H22N2O3S2 MolecularWeight: 354.48748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC(=S)N2CCCC2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC(=S)N2CCCC2)C)C

InChI

InChI=1S/C16H22N2O3S2/c1-4-21-15(20)14-11(3)17-10(2)13(14)12(19)9-23-16(22)18-7-5-6-8-18/h17H,4-9H2,1-3H3