methyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(2-pyridylsulfanyl)propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(2-pyridinylthio)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-pyridin-2-ylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(2-pyridylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=CC=CC=N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=CC=CC=N2

InChI

InChI=1S/C16H18N2O3S/c1-9-13(16(20)21-4)10(2)18-14(9)15(19)11(3)22-12-7-5-6-8-17-12/h5-8,11,18H,1-4H3