methyl 3-[(4-bromanylthiophen-2-yl)methylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[(4-bromanylthiophen-2-yl)methylamino]-4-methyl-benzoate Openeye Name: methyl 3-[(4-bromo-2-thienyl)methylamino]-4-methyl-benzoate CAS Name: 3-[(4-bromo-2-thiophenyl)methylamino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(4-bromothiophen-2-yl)methylamino]-4-methylbenzoate Traditional Name: 3-[(4-bromo-2-thienyl)methylamino]-4-methyl-benzoic acid methyl ester Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CC(=CS2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NCC2=CC(=CS2)Br

InChI

InChI=1S/C14H14BrNO2S/c1-9-3-4-10(14(17)18-2)5-13(9)16-7-12-6-11(15)8-19-12/h3-6,8,16H,7H2,1-2H3