(5-methyl-2-propan-2-yl-phenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-oxo-1,3-benzothiazol-3-yl)propanoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-(2-oxo-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-keto-1,3-benzothiazol-3-yl)propionic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)CCN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C20H21NO3S/c1-13(2)15-9-8-14(3)12-17(15)24-19(22)10-11-21-16-6-4-5-7-18(16)25-20(21)23/h4-9,12-13H,10-11H2,1-3H3