methyl 2-[1-(3-bromanylthiophen-2-yl)ethylamino]-5-methyl-benzoate

Systemtic Name: methyl 2-[1-(3-bromanylthiophen-2-yl)ethylamino]-5-methyl-benzoate Openeye Name: methyl 2-[1-(3-bromo-2-thienyl)ethylamino]-5-methyl-benzoate CAS Name: 2-[1-(3-bromo-2-thiophenyl)ethylamino]-5-methylbenzoic acid methyl ester IUPAC Name: methyl 2-[1-(3-bromothiophen-2-yl)ethylamino]-5-methylbenzoate Traditional Name: 2-[1-(3-bromo-2-thienyl)ethylamino]-5-methyl-benzoic acid methyl ester Formula: C15H16BrNO2S MolecularWeight: 354.26204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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