2-(1-ethyl-7-fluoranyl-8-sulfanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid

Systemtic Name: 2-(1-ethyl-7-fluoranyl-8-sulfanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanoic acid Openeye Name: 2-(1-ethyl-7-fluoro-8-sulfanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid CAS Name: 2-(1-ethyl-7-fluoro-8-mercapto-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid IUPAC Name: 2-(1-ethyl-7-fluoro-8-sulfanyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)acetic acid Traditional Name: 2-(1-ethyl-7-fluoro-8-mercapto-4,9-dihydro-3H-pyran[3,4-b]indol-1-yl)acetic acid Formula: C15H16FNO3S MolecularWeight: 309.355843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3)F)S)CC(=O)O

Isomeric SMILES

CCC1(C2=C(CCO1)C3=C(N2)C(=C(C=C3)F)S)CC(=O)O

InChI

InChI=1S/C15H16FNO3S/c1-2-15(7-11(18)19)14-9(5-6-20-15)8-3-4-10(16)13(21)12(8)17-14/h3-4,17,21H,2,5-7H2,1H3,(H,18,19)