2-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-7-prop-2-enoxy-1,4-benzothiazin-4-yl]ethanoic acid

Systemtic Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxidanylidene-7-prop-2-enoxy-1,4-benzothiazin-4-yl]ethanoic acid Openeye Name: 2-[7-allyloxy-2-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzothiazin-4-yl]acetic acid CAS Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxo-7-prop-2-enoxy-1,4-benzothiazin-4-yl]acetic acid IUPAC Name: 2-[2-[(4-methoxyphenyl)methyl]-3-oxo-7-prop-2-enoxy-1,4-benzothiazin-4-yl]acetic acid Traditional Name: 2-(7-allyloxy-3-keto-2-p-anisyl-1,4-benzothiazin-4-yl)acetic acid Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)OCC=C)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CC2C(=O)N(C3=C(S2)C=C(C=C3)OCC=C)CC(=O)O

InChI

InChI=1S/C21H21NO5S/c1-3-10-27-16-8-9-17-18(12-16)28-19(21(25)22(17)13-20(23)24)11-14-4-6-15(26-2)7-5-14/h3-9,12,19H,1,10-11,13H2,2H3,(H,23,24)