propan-2-yl 2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[[4-(2-methylpropoxy)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[(4-isobutoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[4-(2-methylpropoxy)benzoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(4-isobutoxybenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-13(2)12-27-17-8-5-15(6-9-17)20(25)24-22-23-18-10-7-16(11-19(18)29-22)21(26)28-14(3)4/h5-11,13-14H,12H2,1-4H3,(H,23,24,25)