2-(3,5-dimethylphenoxy)ethyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-15-11-16(2)13-17(12-15)25-9-10-26-21(24)7-8-22-18-5-3-4-6-19(18)27-14-20(22)23/h3-6,11-13H,7-10,14H2,1-2H3