(2,5-dimethylphenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (2,5-dimethylphenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (2,5-dimethylbenzyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO3S/c1-14-7-8-15(2)16(11-14)12-24-20(23)9-10-21-17-5-3-4-6-18(17)25-13-19(21)22/h3-8,11H,9-10,12-13H2,1-2H3