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

Systemtic Name: 1-[(5-aminocarbonylthiophen-3-yl)methyl]-6-fluoranyl-5-methyl-3-(2-oxidanylidene-1H-pyridin-3-yl)indole-2-carboxylic acid Openeye Name: 1-[(5-carbamoyl-3-thienyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid CAS Name: 1-[(5-carbamoyl-3-thiophenyl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)-2-indolecarboxylic acid IUPAC Name: 1-[(5-carbamoylthiophen-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxylic acid Traditional Name: 1-[(5-carbamoyl-3-thienyl)methyl]-6-fluoro-3-(2-keto-1H-pyridin-3-yl)-5-methyl-indole-2-carboxylic acid Formula: C21H16FN3O4S MolecularWeight: 425.432843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(N2CC3=CSC(=C3)C(=O)N)C(=O)O)C4=CC=CNC4=O)F

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(N2CC3=CSC(=C3)C(=O)N)C(=O)O)C4=CC=CNC4=O)F

InChI

InChI=1S/C21H16FN3O4S/c1-10-5-13-15(7-14(10)22)25(8-11-6-16(19(23)26)30-9-11)18(21(28)29)17(13)12-3-2-4-24-20(12)27/h2-7,9H,8H2,1H3,(H2,23,26)(H,24,27)(H,28,29)