1-butyl-2-[(2-cyano-1-benzothiophen-3-yl)-phenyl-methyl]indole-3-carboxylic acid

Systemtic Name: 1-butyl-2-[(2-cyano-1-benzothiophen-3-yl)-phenyl-methyl]indole-3-carboxylic acid Openeye Name: 1-butyl-2-[(2-cyanobenzothiophen-3-yl)-phenyl-methyl]indole-3-carboxylic acid CAS Name: 1-butyl-2-[(2-cyano-1-benzothiophen-3-yl)-phenylmethyl]-3-indolecarboxylic acid IUPAC Name: 1-butyl-2-[(2-cyano-1-benzothiophen-3-yl)-phenylmethyl]indole-3-carboxylic acid Traditional Name: 1-butyl-2-[(2-cyanobenzothiophen-3-yl)-phenyl-methyl]indole-3-carboxylic acid Formula: C29H24N2O2S MolecularWeight: 464.57806

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)C4=C(SC5=CC=CC=C54)C#N)C(=O)O

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(=C1C(C3=CC=CC=C3)C4=C(SC5=CC=CC=C54)C#N)C(=O)O

InChI

InChI=1S/C29H24N2O2S/c1-2-3-17-31-22-15-9-7-13-20(22)27(29(32)33)28(31)25(19-11-5-4-6-12-19)26-21-14-8-10-16-23(21)34-24(26)18-30/h4-16,25H,2-3,17H2,1H3,(H,32,33)