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

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H13BrN2O4S MolecularWeight: 421.26512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H13BrN2O4S/c1-23-13-6-4-10(18)8-11(13)15(21)20-17-19-12-5-3-9(16(22)24-2)7-14(12)25-17/h3-8H,1-2H3,(H,19,20,21)