2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoranyl-2-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoro-2-methyl-indol-1-yl]acetic acid CAS Name: 2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoro-2-methyl-1-indolyl]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoro-2-methylindol-1-yl]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-ylsulfonyl)-5-fluoro-2-methyl-indol-1-yl]acetic acid Formula: C18H13FN2O4S2 MolecularWeight: 404.435223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)S(=O)(=O)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)S(=O)(=O)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H13FN2O4S2/c1-10-17(12-8-11(19)6-7-14(12)21(10)9-16(22)23)27(24,25)18-20-13-4-2-3-5-15(13)26-18/h2-8H,9H2,1H3,(H,22,23)