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

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

Systemtic Name:2-(3-nitrophenyl)ethyl 4-[(2-ethoxy-2-oxidanylidene-ethoxy)carbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Openeye Name:2-(3-nitrophenyl)ethyl 4-[(2-ethoxy-2-oxo-ethoxy)carbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name:4-[[(2-ethoxy-2-oxoethoxy)-oxomethoxy]methyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester
IUPAC Name:2-(3-nitrophenyl)ethyl 4-[(2-ethoxy-2-oxoethoxy)carbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Traditional Name:4-[(2-ethoxy-2-keto-ethoxy)carbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester
Formula: C20H23N3O9S
MolecularWeight: 481.47632
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC(=O)OCC1C(=C(NC(=S)N1)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)COC(=O)OCC1C(=C(NC(=S)N1)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]


InChI

InChI=1S/C20H23N3O9S/c1-3-29-16(24)11-32-20(26)31-10-15-17(12(2)21-19(33)22-15)18(25)30-8-7-13-5-4-6-14(9-13)23(27)28/h4-6,9,15H,3,7-8,10-11H2,1-2H3,(H2,21,22,33)


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