3-(carboxymethyl)-5-fluoranyl-1-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid

Systemtic Name: 3-(carboxymethyl)-5-fluoranyl-1-[(5-fluoranyl-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid Openeye Name: 3-(carboxymethyl)-5-fluoro-1-[(5-fluorobenzothiophen-3-yl)methyl]indole-2-carboxylic acid CAS Name: 3-(carboxymethyl)-5-fluoro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-2-indolecarboxylic acid IUPAC Name: 3-(carboxymethyl)-5-fluoro-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid Traditional Name: 3-(carboxymethyl)-5-fluoro-1-[(5-fluorobenzothiophen-3-yl)methyl]indole-2-carboxylic acid Formula: C20H13F2NO4S MolecularWeight: 401.383326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)C(=C(N2CC3=CSC4=C3C=C(C=C4)F)C(=O)O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1F)C(=C(N2CC3=CSC4=C3C=C(C=C4)F)C(=O)O)CC(=O)O

InChI

InChI=1S/C20H13F2NO4S/c21-11-1-3-16-14(6-11)15(7-18(24)25)19(20(26)27)23(16)8-10-9-28-17-4-2-12(22)5-13(10)17/h1-6,9H,7-8H2,(H,24,25)(H,26,27)