methyl (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

Isomeric SMILES

CCCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C

InChI

InChI=1S/C17H21N3O4S/c1-4-5-10-19-11(2)14(16(21)24-3)15(18-17(19)25)12-6-8-13(9-7-12)20(22)23/h6-9,15H,4-5,10H2,1-3H3,(H,18,25)/t15-/m1/s1