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2-(3-nitrophenyl)ethyl 6-methyl-4-(phenylcarbonyloxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

2-(3-nitrophenyl)ethyl 6-methyl-4-(phenylcarbonyloxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name:2-(3-nitrophenyl)ethyl 6-methyl-4-(phenylcarbonyloxymethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Openeye Name:2-(3-nitrophenyl)ethyl 4-(benzoyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CAS Name:4-(benzoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester
IUPAC Name:2-(3-nitrophenyl)ethyl 4-(benzoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Traditional Name:4-(benzoyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester
Formula: C22H21N3O6S
MolecularWeight: 455.48364
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)C2=CC=CC=C2)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)C2=CC=CC=C2)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C22H21N3O6S/c1-14-19(21(27)30-11-10-15-6-5-9-17(12-15)25(28)29)18(24-22(32)23-14)13-31-20(26)16-7-3-2-4-8-16/h2-9,12,18H,10-11,13H2,1H3,(H2,23,24,32)


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