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

Systemtic Name: 3-[(7,8-dimethoxy-1-oxidanylidene-isothiochromen-3-yl)carbonylamino]propanoic acid Openeye Name: 3-[(7,8-dimethoxy-1-oxo-isothiochromene-3-carbonyl)amino]propanoic acid CAS Name: 3-[[(7,8-dimethoxy-1-oxo-2-benzothiopyran-3-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(7,8-dimethoxy-1-oxoisothiochromene-3-carbonyl)amino]propanoic acid Traditional Name: 3-[(1-keto-7,8-dimethoxy-isothiochromene-3-carbonyl)amino]propionic acid Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO6S/c1-21-9-4-3-8-7-10(14(19)16-6-5-11(17)18)23-15(20)12(8)13(9)22-2/h3-4,7H,5-6H2,1-2H3,(H,16,19)(H,17,18)