4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylic acid

Systemtic Name: 4-(2-ethoxy-2-oxidanylidene-ethyl)-2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxylic acid Openeye Name: 4-(2-ethoxy-2-oxo-ethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid CAS Name: 4-(2-ethoxy-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid IUPAC Name: 4-(2-ethoxy-2-oxoethyl)-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylic acid Traditional Name: 4-(2-ethoxy-2-keto-ethyl)-3-keto-2-p-anisyl-1,4-benzothiazine-6-carboxylic acid Formula: C21H21NO6S MolecularWeight: 415.45954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-3-28-19(23)12-22-16-11-14(21(25)26)6-9-17(16)29-18(20(22)24)10-13-4-7-15(27-2)8-5-13/h4-9,11,18H,3,10,12H2,1-2H3,(H,25,26)