[4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2-(1-methylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [4-(4-nitrophenyl)-2-oxidanylidene-chromen-7-yl] 2-(1-methylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [4-(4-nitrophenyl)-2-oxo-chromen-7-yl] 2-(1-methylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-methyl-2-benzimidazolyl)thio]acetic acid [4-(4-nitrophenyl)-2-oxo-1-benzopyran-7-yl] ester IUPAC Name: [4-(4-nitrophenyl)-2-oxochromen-7-yl] 2-(1-methylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-methylbenzimidazol-2-yl)thio]acetic acid [2-keto-4-(4-nitrophenyl)chromen-7-yl] ester Formula: C25H17N3O6S MolecularWeight: 487.48398

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)OC3=CC4=C(C=C3)C(=CC(=O)O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O6S/c1-27-21-5-3-2-4-20(21)26-25(27)35-14-24(30)33-17-10-11-18-19(13-23(29)34-22(18)12-17)15-6-8-16(9-7-15)28(31)32/h2-13H,14H2,1H3