ethyl 3-bromanyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate

Systemtic Name: ethyl 3-bromanyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate Openeye Name: ethyl 3-bromo-4-[(2-methylthiazol-4-yl)methylamino]benzoate CAS Name: 3-bromo-4-[(2-methyl-4-thiazolyl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoate Traditional Name: 3-bromo-4-[(2-methylthiazol-4-yl)methylamino]benzoic acid ethyl ester Formula: C14H15BrN2O2S MolecularWeight: 355.2501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NCC2=CSC(=N2)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NCC2=CSC(=N2)C)Br

InChI

InChI=1S/C14H15BrN2O2S/c1-3-19-14(18)10-4-5-13(12(15)6-10)16-7-11-8-20-9(2)17-11/h4-6,8,16H,3,7H2,1-2H3