ethyl 2-[6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate

Systemtic Name: ethyl 2-[6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-4-yl]ethanoate Openeye Name: ethyl 2-[6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetate CAS Name: 2-[6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-(hydroxymethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetate Traditional Name: 2-(3-keto-6-methylol-2-p-anisyl-1,4-benzothiazin-4-yl)acetic acid ethyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)CO)SC(C1=O)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)CO)SC(C1=O)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H23NO5S/c1-3-27-20(24)12-22-17-10-15(13-23)6-9-18(17)28-19(21(22)25)11-14-4-7-16(26-2)8-5-14/h4-10,19,23H,3,11-13H2,1-2H3