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

Systemtic Name: ethyl (6R)-3-(3-ethoxypropyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-3-(3-ethoxypropyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-3-(3-ethoxypropyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-3-(3-ethoxypropyl)-4-methyl-6-(2-nitrophenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-3-(3-ethoxypropyl)-4-methyl-6-(2-nitrophenyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=C(C(NC1=S)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCOCCCN1C(=C([C@H](NC1=S)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C19H25N3O5S/c1-4-26-12-8-11-21-13(3)16(18(23)27-5-2)17(20-19(21)28)14-9-6-7-10-15(14)22(24)25/h6-7,9-10,17H,4-5,8,11-12H2,1-3H3,(H,20,28)/t17-/m1/s1