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

Systemtic Name: methyl 3-[1-(3-bromanylthiophen-2-yl)ethylamino]-4-methyl-benzoate Openeye Name: methyl 3-[1-(3-bromo-2-thienyl)ethylamino]-4-methyl-benzoate CAS Name: 3-[1-(3-bromo-2-thiophenyl)ethylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-bromothiophen-2-yl)ethylamino]-4-methylbenzoate Traditional Name: 3-[1-(3-bromo-2-thienyl)ethylamino]-4-methyl-benzoic acid methyl ester Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO2S/c1-9-4-5-11(15(18)19-3)8-13(9)17-10(2)14-12(16)6-7-20-14/h4-8,10,17H,1-3H3