2-[2-methyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(2-thiophen-2-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[2-(2-thienyl)ethoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-(2-thiophen-2-ylethoxy)phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(2-thiophen-2-ylethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[2-(2-thienyl)ethoxy]benzoyl]indol-4-yl]acetic acid Formula: C24H21NO4S MolecularWeight: 419.49284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CS4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C24H21NO4S/c1-16-14-21-18(15-23(26)27)4-2-6-22(21)25(16)24(28)17-7-9-19(10-8-17)29-12-11-20-5-3-13-30-20/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)