ethyl 5-[2-(diethylcarbamothioylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(diethylcarbamothioylsulfanyl)ethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(diethylcarbamothioylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(diethylcarbamothioylsulfanyl)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(diethylthiocarbamoylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H24N2O3S2 MolecularWeight: 356.50336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)C1=C(C(=C(N1)C)C(=O)OCC)C

InChI

InChI=1S/C16H24N2O3S2/c1-6-18(7-2)16(22)23-9-12(19)14-10(4)13(11(5)17-14)15(20)21-8-3/h17H,6-9H2,1-5H3