1-(1,3-benzodioxol-5-yl)-3-phenylsulfanyl-indole-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-phenylsulfanyl-indole-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-phenylsulfanyl-indole-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(phenylthio)-2-indolecarboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-phenylsulfanylindole-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(phenylthio)indole-2-carboxylic acid Formula: C22H15NO4S MolecularWeight: 389.4238

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=CC=CC=C4C(=C3C(=O)O)SC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=CC=CC=C4C(=C3C(=O)O)SC5=CC=CC=C5

InChI

InChI=1S/C22H15NO4S/c24-22(25)20-21(28-15-6-2-1-3-7-15)16-8-4-5-9-17(16)23(20)14-10-11-18-19(12-14)27-13-26-18/h1-12H,13H2,(H,24,25)