ethyl 6-[(4-methylphenyl)sulfanylmethyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(4-methylphenyl)sulfanylmethyl]-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-nitrophenyl)-2-oxo-6-(p-tolylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(4-methylphenyl)thio]methyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(4-methylphenyl)sulfanylmethyl]-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-4-(3-nitrophenyl)-6-[(p-tolylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CSC3=CC=C(C=C3)C

InChI

InChI=1S/C21H21N3O5S/c1-3-29-20(25)18-17(12-30-16-9-7-13(2)8-10-16)22-21(26)23-19(18)14-5-4-6-15(11-14)24(27)28/h4-11,19H,3,12H2,1-2H3,(H2,22,23,26)