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

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (2-methoxy-5-methyl-benzyl) ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO4S/c1-14-7-8-17(24-2)15(11-14)12-25-20(23)9-10-21-16-5-3-4-6-18(16)26-13-19(21)22/h3-8,11H,9-10,12-13H2,1-2H3