ethyl 6-[[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonyloxymethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoyl]oxymethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-oxomethoxy]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoyl]oxymethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[4-(3,5-dimethylpiperidino)-3-nitro-benzoyl]oxymethyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC(=C(C=C3)N4CC(CC(C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)COC(=O)C3=CC(=C(C=C3)N4CC(CC(C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O7S/c1-4-36-25(32)22-18(27-26(33)28-23(22)21-6-5-9-38-21)14-37-24(31)17-7-8-19(20(11-17)30(34)35)29-12-15(2)10-16(3)13-29/h5-9,11,15-16,23H,4,10,12-14H2,1-3H3,(H2,27,28,33)