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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-benzylsulfanylethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[oxo-[2-(phenylmethylthio)ethylamino]methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-benzylsulfanylethylcarbamoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-(benzylthio)ethylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H24N2O3S MolecularWeight: 360.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCSCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C19H24N2O3S/c1-4-24-19(23)17-13(2)16(14(3)21-17)18(22)20-10-11-25-12-15-8-6-5-7-9-15/h5-9,21H,4,10-12H2,1-3H3,(H,20,22)