[2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [2-(4-isopropoxyphenyl)-2-oxo-ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] 2-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-nitro-1H-benzimidazol-2-yl)thio]acetic acid [2-(4-isopropoxyphenyl)-2-keto-ethyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)COC(=O)CSC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6S/c1-12(2)29-15-6-3-13(4-7-15)18(24)10-28-19(25)11-30-20-21-16-8-5-14(23(26)27)9-17(16)22-20/h3-9,12H,10-11H2,1-2H3,(H,21,22)