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

Systemtic Name: methyl 3-[(5-bromanylthiophen-2-yl)methylamino]-2-methyl-benzoate Openeye Name: methyl 3-[(5-bromo-2-thienyl)methylamino]-2-methyl-benzoate CAS Name: 3-[(5-bromo-2-thiophenyl)methylamino]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[(5-bromothiophen-2-yl)methylamino]-2-methylbenzoate Traditional Name: 3-[(5-bromo-2-thienyl)methylamino]-2-methyl-benzoic acid methyl ester Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NCC2=CC=C(S2)Br)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1NCC2=CC=C(S2)Br)C(=O)OC

InChI

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