ethyl (4S)-4-(3-methoxy-5-nitro-2-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(3-methoxy-5-nitro-2-oxidanyl-phenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(2-hydroxy-3-methoxy-5-nitro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-hydroxy-3-methoxy-5-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(2-hydroxy-3-methoxy-5-nitrophenyl)-6-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-hydroxy-3-methoxy-5-nitro-phenyl)-6-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC(=C2O)OC)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@H]1C2=CC(=CC(=C2O)OC)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C20H19N3O6S/c1-3-29-19(25)15-16(11-7-5-4-6-8-11)21-20(30)22-17(15)13-9-12(23(26)27)10-14(28-2)18(13)24/h4-10,17,24H,3H2,1-2H3,(H2,21,22,30)/t17-/m0/s1