(4-tert-butyl-2-methyl-phenyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)CCN2C(=O)CSC3=CC=CC=C32

InChI

InChI=1S/C22H25NO3S/c1-15-13-16(22(2,3)4)9-10-18(15)26-21(25)11-12-23-17-7-5-6-8-19(17)27-14-20(23)24/h5-10,13H,11-12,14H2,1-4H3