ethyl 3-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-oxidanylidene-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate

Systemtic Name: ethyl 3-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-oxidanylidene-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Openeye Name: ethyl 3-[[5-(3-nitrophenyl)-2-furyl]methylene]-2-oxo-7-phenyl-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate CAS Name: 3-[[5-(3-nitrophenyl)-2-furanyl]methylidene]-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-2-oxo-7-phenyl-4-sulfanylidene-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylate Traditional Name: 2-keto-3-[[5-(3-nitrophenyl)-2-furyl]methylene]-7-phenyl-4-thioxo-1H-pyrrolo[1,2-a]pyrimidine-8-carboxylic acid ethyl ester Formula: C27H19N3O6S MolecularWeight: 513.52126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=S)N2C=C1C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2NC(=O)C(=CC3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-])C(=S)N2C=C1C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O6S/c1-2-35-27(32)23-21(16-7-4-3-5-8-16)15-29-24(23)28-25(31)20(26(29)37)14-19-11-12-22(36-19)17-9-6-10-18(13-17)30(33)34/h3-15H,2H2,1H3,(H,28,31)