1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid

Systemtic Name: 1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-(benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-(1-benzothiophen-5-ylmethyl)-3-(2-methyl-1-oxopropyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-(1-benzothiophen-5-ylmethyl)-3-(2-methylpropanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(benzothiophen-5-ylmethyl)-3-isobutyryl-2-propyl-indole-6-carboxylic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3)SC=C4)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC4=C(C=C3)SC=C4)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C25H25NO3S/c1-4-5-20-23(24(27)15(2)3)19-8-7-18(25(28)29)13-21(19)26(20)14-16-6-9-22-17(12-16)10-11-30-22/h6-13,15H,4-5,14H2,1-3H3,(H,28,29)