2-(3-nitrophenyl)ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(3-nitrophenyl)ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-nitrophenyl)ethyl 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy-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-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxycarbonyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester Formula: C22H27N3O9S MolecularWeight: 509.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)OCC2COC(O2)(C)C)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)OCC2COC(O2)(C)C)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O9S/c1-13-18(19(26)30-8-7-14-5-4-6-15(9-14)25(28)29)17(24-20(35)23-13)12-32-21(27)31-10-16-11-33-22(2,3)34-16/h4-6,9,16-17H,7-8,10-12H2,1-3H3,(H2,23,24,35)