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

Systemtic Name: ethyl 5-(2-cyclohexylsulfanylpropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyclohexylsulfanylpropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(cyclohexylthio)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyclohexylsulfanylpropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(cyclohexylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2CCCCC2)C

InChI

InChI=1S/C18H27NO3S/c1-5-22-18(21)15-11(2)16(19-12(15)3)17(20)13(4)23-14-9-7-6-8-10-14/h13-14,19H,5-10H2,1-4H3