3-[[6-(2-carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[6-(2-carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]propanoic acid Openeye Name: 3-[[6-(2-carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoic acid CAS Name: 3-[[[6-[(2-carboxyethylamino)-oxomethyl]-2,8-dimethyl-4-phenoxathiinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[6-(2-carboxyethylcarbamoyl)-2,8-dimethylphenoxathiine-4-carbonyl]amino]propanoic acid Traditional Name: 3-[[6-(2-carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propionic acid Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C(=O)NCCC(=O)O)OC3=C(S2)C=C(C=C3C(=O)NCCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C(=C1)C(=O)NCCC(=O)O)OC3=C(S2)C=C(C=C3C(=O)NCCC(=O)O)C

InChI

InChI=1S/C22H22N2O7S/c1-11-7-13(21(29)23-5-3-17(25)26)19-15(9-11)32-16-10-12(2)8-14(20(16)31-19)22(30)24-6-4-18(27)28/h7-10H,3-6H2,1-2H3,(H,23,29)(H,24,30)(H,25,26)(H,27,28)