4-[1-(5-chloranylthiophen-2-yl)ethylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[1-(5-chloranylthiophen-2-yl)ethylamino]-3-methyl-benzoic acid Openeye Name: 4-[1-(5-chloro-2-thienyl)ethylamino]-3-methyl-benzoic acid CAS Name: 4-[1-(5-chloro-2-thiophenyl)ethylamino]-3-methylbenzoic acid IUPAC Name: 4-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbenzoic acid Traditional Name: 4-[1-(5-chloro-2-thienyl)ethylamino]-3-methyl-benzoic acid Formula: C14H14ClNO2S MolecularWeight: 295.78446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(C)C2=CC=C(S2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(C)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H14ClNO2S/c1-8-7-10(14(17)18)3-4-11(8)16-9(2)12-5-6-13(15)19-12/h3-7,9,16H,1-2H3,(H,17,18)