4-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid Openeye Name: 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methyl-benzoic acid CAS Name: 4-[[3-[(4-fluorophenyl)thio]-1-oxopropyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[3-(4-fluorophenyl)sulfanylpropanoylamino]-3-methylbenzoic acid Traditional Name: 4-[3-[(4-fluorophenyl)thio]propanoylamino]-3-methyl-benzoic acid Formula: C17H16FNO3S MolecularWeight: 333.377243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C17H16FNO3S/c1-11-10-12(17(21)22)2-7-15(11)19-16(20)8-9-23-14-5-3-13(18)4-6-14/h2-7,10H,8-9H2,1H3,(H,19,20)(H,21,22)