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

Systemtic Name: ethyl 4-(3-nitrophenyl)-2-oxidanylidene-6-[(phenylmethylsulfanyl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(benzylsulfanylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-nitrophenyl)-2-oxo-6-[(phenylmethylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(benzylsulfanylmethyl)-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[(benzylthio)methyl]-2-keto-4-(3-nitrophenyl)-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-])CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])CSCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5S/c1-2-29-20(25)18-17(13-30-12-14-7-4-3-5-8-14)22-21(26)23-19(18)15-9-6-10-16(11-15)24(27)28/h3-11,19H,2,12-13H2,1H3,(H2,22,23,26)