methyl 5-[2-(3-cyanopyridin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(3-cyanopyridin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(3-cyano-2-pyridyl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-cyano-2-pyridinyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3-cyanopyridin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-cyano-2-pyridyl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=C(C=CC=N2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=C(C=CC=N2)C#N

InChI

InChI=1S/C16H15N3O3S/c1-9-13(16(21)22-3)10(2)19-14(9)12(20)8-23-15-11(7-17)5-4-6-18-15/h4-6,19H,8H2,1-3H3