methyl 5-[(5-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[(5-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[(5-bromo-2-thienyl)methylamino]-2-chloro-benzoate CAS Name: 5-[(5-bromo-2-thiophenyl)methylamino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[(5-bromothiophen-2-yl)methylamino]-2-chlorobenzoate Traditional Name: 5-[(5-bromo-2-thienyl)methylamino]-2-chloro-benzoic acid methyl ester Formula: C13H11BrClNO2S MolecularWeight: 360.65394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(S2)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC=C(S2)Br)Cl

InChI

InChI=1S/C13H11BrClNO2S/c1-18-13(17)10-6-8(2-4-11(10)15)16-7-9-3-5-12(14)19-9/h2-6,16H,7H2,1H3