2-[[6,7-dimethoxy-2,4-bis(oxidanylidene)thiochromen-3-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6,7-dimethoxy-2,4-bis(oxidanylidene)thiochromen-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(6,7-dimethoxy-2,4-dioxo-thiochromane-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6,7-dimethoxy-2,4-dioxo-1-benzothiopyran-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6,7-dimethoxy-2,4-dioxothiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(2,4-diketo-6,7-dimethoxy-thiochroman-3-carbonyl)amino]acetic acid Formula: C14H13NO7S MolecularWeight: 339.32052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(C(=O)S2)C(=O)NCC(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(C(=O)S2)C(=O)NCC(=O)O)OC

InChI

InChI=1S/C14H13NO7S/c1-21-7-3-6-9(4-8(7)22-2)23-14(20)11(12(6)18)13(19)15-5-10(16)17/h3-4,11H,5H2,1-2H3,(H,15,19)(H,16,17)