ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[1-(phenylmethyl)pyrrolidin-3-yl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[[1-(phenylmethyl)-3-pyrrolidinyl]amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-[(1-benzylpyrrolidin-3-yl)amino]-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-[(1-benzylpyrrolidin-3-yl)amino]-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2CCN(C2)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N4O3S/c1-3-30-23(29)20-11-18(12-24)22(25-16(20)2)31-15-21(28)26-19-9-10-27(14-19)13-17-7-5-4-6-8-17/h4-8,11,19H,3,9-10,13-15H2,1-2H3,(H,26,28)