ethyl 3-bromanyl-4-[(5-methylthiophen-2-yl)methylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(5-methylthiophen-2-yl)methylamino]benzoate Openeye Name: ethyl 3-bromo-4-[(5-methyl-2-thienyl)methylamino]benzoate CAS Name: 3-bromo-4-[(5-methyl-2-thiophenyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(5-methylthiophen-2-yl)methylamino]benzoate Traditional Name: 3-bromo-4-[(5-methyl-2-thienyl)methylamino]benzoic acid ethyl ester Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO2S/c1-3-19-15(18)11-5-7-14(13(16)8-11)17-9-12-6-4-10(2)20-12/h4-8,17H,3,9H2,1-2H3