ethyl 2-(2-acetamidoethylsulfanylmethyl)-5-cyano-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate

Systemtic Name: ethyl 2-(2-acetamidoethylsulfanylmethyl)-5-cyano-6-[3-[(phenylmethyl)sulfonylcarbamoyl]azetidin-1-yl]pyridine-3-carboxylate Openeye Name: ethyl 2-(2-acetamidoethylsulfanylmethyl)-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-pyridine-3-carboxylate CAS Name: 2-[(2-acetamidoethylthio)methyl]-5-cyano-6-[3-[oxo-[(phenylmethyl)sulfonylamino]methyl]-1-azetidinyl]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-acetamidoethylsulfanylmethyl)-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyanopyridine-3-carboxylate Traditional Name: 2-[(2-acetamidoethylthio)methyl]-6-[3-(benzylsulfonylcarbamoyl)azetidin-1-yl]-5-cyano-nicotinic acid ethyl ester Formula: C25H29N5O6S2 MolecularWeight: 559.65766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CSCCNC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CC(C2)C(=O)NS(=O)(=O)CC3=CC=CC=C3)CSCCNC(=O)C

InChI

InChI=1S/C25H29N5O6S2/c1-3-36-25(33)21-11-19(12-26)23(28-22(21)15-37-10-9-27-17(2)31)30-13-20(14-30)24(32)29-38(34,35)16-18-7-5-4-6-8-18/h4-8,11,20H,3,9-10,13-16H2,1-2H3,(H,27,31)(H,29,32)