2-[5-fluoranyl-2-[2-[(4-methylphenyl)carbothioylamino]ethyl]indol-2-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-[2-[(4-methylphenyl)carbothioylamino]ethyl]indol-2-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-[2-[(4-methylbenzenecarbothioyl)amino]ethyl]indol-2-yl]acetic acid CAS Name: 2-[5-fluoro-2-[2-[[(4-methylphenyl)-sulfanylidenemethyl]amino]ethyl]-2-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-[2-[(4-methylbenzenecarbothioyl)amino]ethyl]indol-2-yl]acetic acid Traditional Name: 2-[5-fluoro-2-[2-[(4-methylthiobenzoyl)amino]ethyl]indol-2-yl]acetic acid Formula: C20H19FN2O2S MolecularWeight: 370.440463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NCCC2(C=C3C=C(C=CC3=N2)F)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NCCC2(C=C3C=C(C=CC3=N2)F)CC(=O)O

InChI

InChI=1S/C20H19FN2O2S/c1-13-2-4-14(5-3-13)19(26)22-9-8-20(12-18(24)25)11-15-10-16(21)6-7-17(15)23-20/h2-7,10-11H,8-9,12H2,1H3,(H,22,26)(H,24,25)