methyl 2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-12(2)15-7-5-13(3)9-17(15)27-11-19(24)23-21-22-16-8-6-14(20(25)26-4)10-18(16)28-21/h5-10,12H,11H2,1-4H3,(H,22,23,24)