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

Systemtic Name: butyl 2-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[(5-bromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[(5-bromo-2-methoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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