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

Systemtic Name: 2-(3-nitrophenyl)ethyl 4-(3-acetamidopropanoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-nitrophenyl)ethyl 4-(3-acetamidopropanoyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[(3-acetamido-1-oxopropoxy)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-(3-acetamidopropanoyloxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-acetamidopropanoyloxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester Formula: C20H24N4O7S MolecularWeight: 464.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)CCNC(=O)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)CCNC(=O)C)C(=O)OCCC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O7S/c1-12-18(19(27)30-9-7-14-4-3-5-15(10-14)24(28)29)16(23-20(32)22-12)11-31-17(26)6-8-21-13(2)25/h3-5,10,16H,6-9,11H2,1-2H3,(H,21,25)(H2,22,23,32)