ethyl 5-[[cyclohexyl(2-phenylsulfanylethanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[[cyclohexyl(2-phenylsulfanylethanoyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[cyclohexyl-(2-phenylsulfanylacetyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[cyclohexyl-[1-oxo-2-(phenylthio)ethyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[cyclohexyl-(2-phenylsulfanylacetyl)amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[cyclohexyl-[2-(phenylthio)acetyl]amino]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H32N2O3S MolecularWeight: 428.58748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)CN(C2CCCCC2)C(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C24H32N2O3S/c1-4-29-24(28)23-17(2)21(25-18(23)3)15-26(19-11-7-5-8-12-19)22(27)16-30-20-13-9-6-10-14-20/h6,9-10,13-14,19,25H,4-5,7-8,11-12,15-16H2,1-3H3