2-ethylsulfanylethyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl 3,4-dimethyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3,4-dimethyl-6-(4-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C)C

Isomeric SMILES

CCSCCOC(=O)C1=C(N(C(=O)NC1C2=CC=C(C=C2)[N+](=O)[O-])C)C

InChI

InChI=1S/C17H21N3O5S/c1-4-26-10-9-25-16(21)14-11(2)19(3)17(22)18-15(14)12-5-7-13(8-6-12)20(23)24/h5-8,15H,4,9-10H2,1-3H3,(H,18,22)