ethyl 4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-benzyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-benzyl-2-keto-4-methyl-6-[2-(2-nitrophenyl)sulfonyloxyphenyl]-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C27H25N3O8S MolecularWeight: 551.5677

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CC=C4)C

InChI

InChI=1S/C27H25N3O8S/c1-3-37-26(31)24-18(2)29(17-19-11-5-4-6-12-19)27(32)28-25(24)20-13-7-9-15-22(20)38-39(35,36)23-16-10-8-14-21(23)30(33)34/h4-16,25H,3,17H2,1-2H3,(H,28,32)