methyl 2-[3-(2-bromanyl-1,3-thiazol-5-yl)propanoylamino]benzoate

Systemtic Name: methyl 2-[3-(2-bromanyl-1,3-thiazol-5-yl)propanoylamino]benzoate Openeye Name: methyl 2-[3-(2-bromothiazol-5-yl)propanoylamino]benzoate CAS Name: 2-[[3-(2-bromo-5-thiazolyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(2-bromo-1,3-thiazol-5-yl)propanoylamino]benzoate Traditional Name: 2-[3-(2-bromothiazol-5-yl)propanoylamino]benzoic acid methyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CN=C(S2)Br

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCC2=CN=C(S2)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-20-13(19)10-4-2-3-5-11(10)17-12(18)7-6-9-8-16-14(15)21-9/h2-5,8H,6-7H2,1H3,(H,17,18)