(2,3,6-trimethylphenyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (2,3,6-trimethylphenyl) 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (2,3,6-trimethylphenyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (2,3,6-trimethylphenyl) ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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