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

Systemtic Name: 2-(3-nitrophenyl)ethyl 4-[3-(2-acetyloxyphenyl)propanoyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-nitrophenyl)ethyl 4-[3-(2-acetoxyphenyl)propanoyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-[[3-(2-acetyloxyphenyl)-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-(2-acetyloxyphenyl)propanoyloxymethyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-[3-(2-acetoxyphenyl)propanoyloxymethyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(3-nitrophenyl)ethyl ester Formula: C26H27N3O8S MolecularWeight: 541.57288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)COC(=O)CCC2=CC=CC=C2OC(=O)C)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)COC(=O)CCC2=CC=CC=C2OC(=O)C)C(=O)OCCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O8S/c1-16-24(25(32)35-13-12-18-6-5-8-20(14-18)29(33)34)21(28-26(38)27-16)15-36-23(31)11-10-19-7-3-4-9-22(19)37-17(2)30/h3-9,14,21H,10-13,15H2,1-2H3,(H2,27,28,38)