ethyl 4-methyl-2-[[4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]sulfonylamino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[[4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]sulfonylamino]pentanoate Openeye Name: ethyl 4-methyl-2-[[4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]sulfonylamino]pentanoate CAS Name: 4-methyl-2-[[4-[[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]phenyl]sulfonylamino]pentanoic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]sulfonylamino]pentanoate Traditional Name: 2-[[4-[[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]methyl]phenyl]sulfonylamino]-4-methyl-valeric acid ethyl ester Formula: C20H27N3O5S2 MolecularWeight: 453.57548

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C

Isomeric SMILES

CCOC(=O)C(CC(C)C)NS(=O)(=O)C1=CC=C(C=C1)CSC2=NC(=O)C=C(N2)C

InChI

InChI=1S/C20H27N3O5S2/c1-5-28-19(25)17(10-13(2)3)23-30(26,27)16-8-6-15(7-9-16)12-29-20-21-14(4)11-18(24)22-20/h6-9,11,13,17,23H,5,10,12H2,1-4H3,(H,21,22,24)