ethyl 5-cyano-6-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C24H23N5O4S MolecularWeight: 477.53552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=C(C(=C(N2CC3=CC=CO3)C)C)C#N)C

InChI

InChI=1S/C24H23N5O4S/c1-5-32-24(31)19-9-17(10-25)23(27-15(19)3)34-13-21(30)28-22-20(11-26)14(2)16(4)29(22)12-18-7-6-8-33-18/h6-9H,5,12-13H2,1-4H3,(H,28,30)