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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

Isomeric SMILES

CCCN1C(=C([C@H](NC1=S)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC)C

InChI

InChI=1S/C17H21N3O4S/c1-4-10-19-11(3)14(16(21)24-5-2)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