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

Systemtic Name: ethyl 5-[2-[3-cyano-6-methyl-5-(phenylcarbamoyl)pyridin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC(=C(C=C2C#N)C(=O)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C26H26N4O4S/c1-6-34-26(33)21-14(2)22(28-16(21)4)23(31)17(5)35-25-18(13-27)12-20(15(3)29-25)24(32)30-19-10-8-7-9-11-19/h7-12,17,28H,6H2,1-5H3,(H,30,32)