ethyl 2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3Br)C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=C(C=C3Br)C)C

InChI

InChI=1S/C20H19BrN2O4S/c1-4-26-19(25)13-5-6-15-16(9-13)28-20(22-15)23-17(24)10-27-18-12(3)7-11(2)8-14(18)21/h5-9H,4,10H2,1-3H3,(H,22,23,24)