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

Systemtic Name: ethyl 5-(2-cyclopentylsulfanylethanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyclopentylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(cyclopentylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyclopentylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(cyclopentylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2CCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2CCCC2)C

InChI

InChI=1S/C16H23NO3S/c1-4-20-16(19)14-10(2)15(17-11(14)3)13(18)9-21-12-7-5-6-8-12/h12,17H,4-9H2,1-3H3