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

Systemtic Name: methyl 3-[(5-bromanylthiophen-2-yl)methylamino]benzoate Openeye Name: methyl 3-[(5-bromo-2-thienyl)methylamino]benzoate CAS Name: 3-[(5-bromo-2-thiophenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromothiophen-2-yl)methylamino]benzoate Traditional Name: 3-[(5-bromo-2-thienyl)methylamino]benzoic acid methyl ester Formula: C13H12BrNO2S MolecularWeight: 326.20888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12BrNO2S/c1-17-13(16)9-3-2-4-10(7-9)15-8-11-5-6-12(14)18-11/h2-7,15H,8H2,1H3