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

Systemtic Name: methyl 4-[(5-bromanylthiophen-3-yl)methylamino]-3-methyl-benzoate Openeye Name: methyl 4-[(5-bromo-3-thienyl)methylamino]-3-methyl-benzoate CAS Name: 4-[(5-bromo-3-thiophenyl)methylamino]-3-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromothiophen-3-yl)methylamino]-3-methylbenzoate Traditional Name: 4-[(5-bromo-3-thienyl)methylamino]-3-methyl-benzoic acid methyl ester Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CSC(=C2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC)NCC2=CSC(=C2)Br

InChI

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