methyl 5-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[5-[anilino(oxo)methyl]-3-cyano-6-methyl-2-pyridinyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-cyano-6-methyl-5-(phenylcarbamoyl)-2-pyridyl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C25H24N4O4S/c1-13-20(25(32)33-5)15(3)27-21(13)22(30)16(4)34-24-17(12-26)11-19(14(2)28-24)23(31)29-18-9-7-6-8-10-18/h6-11,16,27H,1-5H3,(H,29,31)