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

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17BrN2O4S/c1-4-26-18(24)11-5-6-14-15(8-11)27-19(21-14)22-17(23)13-9-12(20)7-10(2)16(13)25-3/h5-9H,4H2,1-3H3,(H,21,22,23)