O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate

Systemtic Name: O5-ethyl O3-[1-(phenylmethyl)piperidin-4-yl] 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Openeye Name: O3-(1-benzyl-4-piperidyl) O5-ethyl 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylate CAS Name: 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid O5-ethyl ester O3-[1-(phenylmethyl)-4-piperidinyl] ester IUPAC Name: 3-O-(1-benzylpiperidin-4-yl) 5-O-ethyl 6-methyl-4-(2-nitrophenyl)-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylate Traditional Name: 6-methyl-4-(2-nitrophenyl)-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid O3-(1-benzyl-4-piperidyl) ester O5-ethyl ester Formula: C27H30N4O6S MolecularWeight: 538.6153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OC3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N4O6S/c1-3-36-25(32)23-18(2)28-26(38)30(24(23)21-11-7-8-12-22(21)31(34)35)27(33)37-20-13-15-29(16-14-20)17-19-9-5-4-6-10-19/h4-12,20,24H,3,13-17H2,1-2H3,(H,28,38)