2-[2-[3-(1-ethoxycarbonyl-3-oxidanylidene-indazol-2-yl)propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(1-ethoxycarbonyl-3-oxidanylidene-indazol-2-yl)propylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-(1-ethoxycarbonyl-3-oxo-indazol-2-yl)propylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[3-(1-ethoxycarbonyl-3-oxo-2-indazolyl)propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-(1-ethoxycarbonyl-3-oxoindazol-2-yl)propylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-(1-carbethoxy-3-keto-indazolin-2-yl)propylthio]benzimidazol-1-yl]acetic acid Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C2=CC=CC=C2C(=O)N1CCCSC3=NC4=CC=CC=C4N3CC(=O)O

Isomeric SMILES

CCOC(=O)N1C2=CC=CC=C2C(=O)N1CCCSC3=NC4=CC=CC=C4N3CC(=O)O

InChI

InChI=1S/C22H22N4O5S/c1-2-31-22(30)26-17-10-5-3-8-15(17)20(29)25(26)12-7-13-32-21-23-16-9-4-6-11-18(16)24(21)14-19(27)28/h3-6,8-11H,2,7,12-14H2,1H3,(H,27,28)