ethyl (6S)-3-(3-ethoxypropyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-3-(3-ethoxypropyl)-4-methyl-6-(3-nitro-4-oxidanyl-phenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(3-ethoxypropyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(3-ethoxypropyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(3-ethoxypropyl)-6-(4-hydroxy-3-nitrophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(3-ethoxypropyl)-6-(4-hydroxy-3-nitro-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O6S/c1-4-27-10-6-9-21-12(3)16(18(24)28-5-2)17(20-19(21)29)13-7-8-15(23)14(11-13)22(25)26/h7-8,11,17,23H,4-6,9-10H2,1-3H3,(H,20,29)/t17-/m0/s1