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

Systemtic Name: 3-[(4-bromanylthiophen-2-yl)methylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-bromo-2-thienyl)methylamino]-4-methyl-benzoic acid CAS Name: 3-[(4-bromo-2-thiophenyl)methylamino]-4-methylbenzoic acid IUPAC Name: 3-[(4-bromothiophen-2-yl)methylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-bromo-2-thienyl)methylamino]-4-methyl-benzoic acid Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=CS2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NCC2=CC(=CS2)Br

InChI

InChI=1S/C13H12BrNO2S/c1-8-2-3-9(13(16)17)4-12(8)15-6-11-5-10(14)7-18-11/h2-5,7,15H,6H2,1H3,(H,16,17)