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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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