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

Systemtic Name: ethyl 5-(2-cyclohexylsulfanylethanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-(2-cyclohexylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-(cyclohexylthio)-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-cyclohexylsulfanylacetyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(cyclohexylthio)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H25NO3S MolecularWeight: 323.4503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2CCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2CCCCC2)C

InChI

InChI=1S/C17H25NO3S/c1-4-21-17(20)15-11(2)16(18-12(15)3)14(19)10-22-13-8-6-5-7-9-13/h13,18H,4-10H2,1-3H3