butyl 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[[3,5-bis(bromanyl)-2-methoxy-phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(3,5-dibromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3,5-dibromo-2-methoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(3,5-dibromo-2-methoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3,5-dibromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H18Br2N2O4S MolecularWeight: 542.24092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3OC)Br)Br

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC(=C3OC)Br)Br

InChI

InChI=1S/C20H18Br2N2O4S/c1-3-4-7-28-19(26)11-5-6-15-16(8-11)29-20(23-15)24-18(25)13-9-12(21)10-14(22)17(13)27-2/h5-6,8-10H,3-4,7H2,1-2H3,(H,23,24,25)