ethyl (4S)-6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-methyl-4-[5-(4-nitrophenyl)-2-furyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-[5-(4-nitrophenyl)-2-furanyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-[5-(4-nitrophenyl)-2-furyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C18H17N3O5S/c1-3-25-17(22)15-10(2)19-18(27)20-16(15)14-9-8-13(26-14)11-4-6-12(7-5-11)21(23)24/h4-9,16H,3H2,1-2H3,(H2,19,20,27)/t16-/m1/s1