2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]-1-methyl-indole-3-carboxylic acid

Systemtic Name: 2-[[4-(2-cyanothiophen-3-yl)phenyl]-oxidanyl-methyl]-1-methyl-indole-3-carboxylic acid Openeye Name: 2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]-1-methyl-indole-3-carboxylic acid CAS Name: 2-[[4-(2-cyano-3-thiophenyl)phenyl]-hydroxymethyl]-1-methyl-3-indolecarboxylic acid IUPAC Name: 2-[[4-(2-cyanothiophen-3-yl)phenyl]-hydroxymethyl]-1-methylindole-3-carboxylic acid Traditional Name: 2-[[4-(2-cyano-3-thienyl)phenyl]-hydroxy-methyl]-1-methyl-indole-3-carboxylic acid Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C(C3=CC=C(C=C3)C4=C(SC=C4)C#N)O)C(=O)O

InChI

InChI=1S/C22H16N2O3S/c1-24-17-5-3-2-4-16(17)19(22(26)27)20(24)21(25)14-8-6-13(7-9-14)15-10-11-28-18(15)12-23/h2-11,21,25H,1H3,(H,26,27)