ethyl (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-fluorophenyl)-6-(4-nitrophenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H16FN3O4S MolecularWeight: 401.411443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=CC=C2)F)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16FN3O4S/c1-2-27-18(24)15-16(11-6-8-14(9-7-11)23(25)26)21-19(28)22-17(15)12-4-3-5-13(20)10-12/h3-10,17H,2H2,1H3,(H2,21,22,28)/t17-/m1/s1