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

Systemtic Name: 2-[[6-hexoxy-2,4-bis(oxidanylidene)thiochromen-3-yl]carbonylamino]ethanoic acid Openeye Name: 2-[(6-hexoxy-2,4-dioxo-thiochromane-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-hexoxy-2,4-dioxo-1-benzothiopyran-3-yl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-hexoxy-2,4-dioxothiochromene-3-carbonyl)amino]acetic acid Traditional Name: 2-[(6-hexoxy-2,4-diketo-thiochroman-3-carbonyl)amino]acetic acid Formula: C18H21NO6S MolecularWeight: 379.42744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)SC(=O)C(C2=O)C(=O)NCC(=O)O

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)SC(=O)C(C2=O)C(=O)NCC(=O)O

InChI

InChI=1S/C18H21NO6S/c1-2-3-4-5-8-25-11-6-7-13-12(9-11)16(22)15(18(24)26-13)17(23)19-10-14(20)21/h6-7,9,15H,2-5,8,10H2,1H3,(H,19,23)(H,20,21)