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

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H15BrN2O4S MolecularWeight: 435.2917

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)OC

InChI

InChI=1S/C18H15BrN2O4S/c1-9-6-11(19)8-12(15(9)24-2)16(22)21-18-20-13-5-4-10(17(23)25-3)7-14(13)26-18/h4-8H,1-3H3,(H,20,21,22)