3-[1-(3-bromanylthiophen-2-yl)ethylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[1-(3-bromanylthiophen-2-yl)ethylamino]-4-methyl-benzoic acid Openeye Name: 3-[1-(3-bromo-2-thienyl)ethylamino]-4-methyl-benzoic acid CAS Name: 3-[1-(3-bromo-2-thiophenyl)ethylamino]-4-methylbenzoic acid IUPAC Name: 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-methylbenzoic acid Traditional Name: 3-[1-(3-bromo-2-thienyl)ethylamino]-4-methyl-benzoic acid Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=C(C=CS2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(C)C2=C(C=CS2)Br

InChI

InChI=1S/C14H14BrNO2S/c1-8-3-4-10(14(17)18)7-12(8)16-9(2)13-11(15)5-6-19-13/h3-7,9,16H,1-2H3,(H,17,18)