2-[[6-(carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiin-4-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid CAS Name: 2-[[[6-[(carboxymethylamino)-oxomethyl]-2,8-dimethyl-4-phenoxathiinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(carboxymethylcarbamoyl)-2,8-dimethylphenoxathiine-4-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid Formula: C20H18N2O7S MolecularWeight: 430.43112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O7S/c1-9-3-11(19(27)21-7-15(23)24)17-13(5-9)30-14-6-10(2)4-12(18(14)29-17)20(28)22-8-16(25)26/h3-6H,7-8H2,1-2H3,(H,21,27)(H,22,28)(H,23,24)(H,25,26)