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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[3-[2-oxidanylidene-2-[(phenylmethyl)sulfonylamino]ethyl]pyrrolidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxo-ethyl]pyrrolidin-1-yl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[3-[2-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-1-pyrrolidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-[2-(benzylsulfonylamino)-2-oxoethyl]pyrrolidin-1-yl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[3-[2-(benzylsulfonylamino)-2-keto-ethyl]pyrrolidino]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C23H26N4O5S MolecularWeight: 470.54134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C2)CC(=O)NS(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(C2)CC(=O)NS(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C23H26N4O5S/c1-3-32-23(29)20-12-19(13-24)22(25-16(20)2)27-10-9-18(14-27)11-21(28)26-33(30,31)15-17-7-5-4-6-8-17/h4-8,12,18H,3,9-11,14-15H2,1-2H3,(H,26,28)