1-[(3-azanyl-1,2-benzothiazol-5-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid

Systemtic Name: 1-[(3-azanyl-1,2-benzothiazol-5-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[(3-amino-1,2-benzothiazol-5-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[(3-amino-1,2-benzothiazol-5-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(3-amino-1,2-benzothiazol-5-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-[(3-amino-1,2-benzothiazol-5-yl)methyl]-6-fluoro-3-(2-keto-1H-pyridin-3-yl)-5-methyl-indole-2-carboxylic acid Formula: C23H17FN4O3S MolecularWeight: 448.469483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)SN=C4N)C(=O)O)C5=CC=CNC5=O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N2CC3=CC4=C(C=C3)SN=C4N)C(=O)O)C5=CC=CNC5=O)F

InChI

InChI=1S/C23H17FN4O3S/c1-11-7-14-17(9-16(11)24)28(10-12-4-5-18-15(8-12)21(25)27-32-18)20(23(30)31)19(14)13-3-2-6-26-22(13)29/h2-9H,10H2,1H3,(H2,25,27)(H,26,29)(H,30,31)