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

Systemtic Name: methyl 6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-[5-(4-nitrophenyl)-2-furyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-[5-(4-nitrophenyl)-2-furanyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-[5-(4-nitrophenyl)furan-2-yl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-[5-(4-nitrophenyl)-2-furyl]-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C17H15N3O5S/c1-9-14(16(21)24-2)15(19-17(26)18-9)13-8-7-12(25-13)10-3-5-11(6-4-10)20(22)23/h3-8,15H,1-2H3,(H2,18,19,26)