2-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]acetic acid CAS Name: 2-[[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]acetic acid Formula: C14H13NO6S MolecularWeight: 323.32112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C=C(SC2=O)C(=O)NCC(=O)O)OC

InChI

InChI=1S/C14H13NO6S/c1-20-8-4-3-7-5-9(13(18)15-6-10(16)17)22-14(19)11(7)12(8)21-2/h3-5H,6H2,1-2H3,(H,15,18)(H,16,17)