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

Systemtic Name: methyl 2-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C18H14Br2N2O4S MolecularWeight: 514.18776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)Br)Br

InChI

InChI=1S/C18H14Br2N2O4S/c1-9-5-11(19)7-12(20)16(9)26-8-15(23)22-18-21-13-4-3-10(17(24)25-2)6-14(13)27-18/h3-7H,8H2,1-2H3,(H,21,22,23)