2-[2-methyl-1-[4-(2-thiophen-3-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-(2-thiophen-3-ylethoxy)phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[2-(3-thienyl)ethoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[oxo-[4-[2-(3-thiophenyl)ethoxy]phenyl]methyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-(2-thiophen-3-ylethoxy)benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[2-(3-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=CSC=C4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCCC4=CSC=C4)CC(=O)O

InChI

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