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

Systemtic Name: 2-[(2-cyanothiophen-3-yl)-phenyl-methyl]-1-methyl-indole-3-carboxylic acid Openeye Name: 2-[(2-cyano-3-thienyl)-phenyl-methyl]-1-methyl-indole-3-carboxylic acid CAS Name: 2-[(2-cyano-3-thiophenyl)-phenylmethyl]-1-methyl-3-indolecarboxylic acid IUPAC Name: 2-[(2-cyanothiophen-3-yl)-phenylmethyl]-1-methylindole-3-carboxylic acid Traditional Name: 2-[(2-cyano-3-thienyl)-phenyl-methyl]-1-methyl-indole-3-carboxylic acid Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O2S/c1-24-17-10-6-5-9-15(17)20(22(25)26)21(24)19(14-7-3-2-4-8-14)16-11-12-27-18(16)13-23/h2-12,19H,1H3,(H,25,26)