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

Systemtic Name: propan-2-yl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C20H19BrN2O4S MolecularWeight: 463.34486

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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(C)C)OC

Isomeric SMILES

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

InChI

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