2-(3,5-dimethylphenoxy)ethyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2S)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCOC(=O)CC2C(=O)NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCOC(=O)C[C@H]2C(=O)NC3=CC=CC=C3S2)C

InChI

InChI=1S/C20H21NO4S/c1-13-9-14(2)11-15(10-13)24-7-8-25-19(22)12-18-20(23)21-16-5-3-4-6-17(16)26-18/h3-6,9-11,18H,7-8,12H2,1-2H3,(H,21,23)/t18-/m0/s1