methyl 3-[(5-bromanylthiophen-3-yl)methylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 3-[(5-bromanylthiophen-3-yl)methylamino]-4-chloranyl-benzoate Openeye Name: methyl 3-[(5-bromo-3-thienyl)methylamino]-4-chloro-benzoate CAS Name: 3-[(5-bromo-3-thiophenyl)methylamino]-4-chlorobenzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromothiophen-3-yl)methylamino]-4-chlorobenzoate Traditional Name: 3-[(5-bromo-3-thienyl)methylamino]-4-chloro-benzoic acid methyl ester Formula: C13H11BrClNO2S MolecularWeight: 360.65394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NCC2=CSC(=C2)Br

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NCC2=CSC(=C2)Br

InChI

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