methyl 5-[(4-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoate

Systemtic Name: methyl 5-[(4-bromanylthiophen-2-yl)methylamino]-2-chloranyl-benzoate Openeye Name: methyl 5-[(4-bromo-2-thienyl)methylamino]-2-chloro-benzoate CAS Name: 5-[(4-bromo-2-thiophenyl)methylamino]-2-chlorobenzoic acid methyl ester IUPAC Name: methyl 5-[(4-bromothiophen-2-yl)methylamino]-2-chlorobenzoate Traditional Name: 5-[(4-bromo-2-thienyl)methylamino]-2-chloro-benzoic acid methyl ester Formula: C13H11BrClNO2S MolecularWeight: 360.65394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NCC2=CC(=CS2)Br)Cl

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NCC2=CC(=CS2)Br)Cl

InChI

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