[5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-chloranyl-1H-indole-2-carboxylate

Systemtic Name: [5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-chloranyl-1H-indole-2-carboxylate Openeye Name: [5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-chloro-1H-indole-2-carboxylate CAS Name: 3-chloro-1H-indole-2-carboxylic acid [5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester IUPAC Name: [5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-chloro-1H-indole-2-carboxylate Traditional Name: 3-chloro-1H-indole-2-carboxylic acid [5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl ester Formula: C21H18ClN3O6 MolecularWeight: 443.83712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)COC(=O)C3=C(C4=CC=CC=C4N3)Cl

InChI

InChI=1S/C21H18ClN3O6/c1-2-29-19(26)15-13(24-21(28)25-17(15)14-8-5-9-30-14)10-31-20(27)18-16(22)11-6-3-4-7-12(11)23-18/h3-9,17,23H,2,10H2,1H3,(H2,24,25,28)