2-[[4-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]carbamothioylamino]propanoic acid

Systemtic Name: 2-[[4-[4-methoxy-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxyphenyl]carbamothioylamino]propanoic acid Openeye Name: 2-[[4-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxyphenyl]carbamothioylamino]propanoic acid CAS Name: 2-[[[4-[(3,5-dihydroxy-4-methoxy-6-methyl-2-oxanyl)oxy]anilino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-[[4-(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxyphenyl]carbamothioylamino]propanoic acid Traditional Name: 2-[[4-(3,5-dihydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl)oxyphenyl]thiocarbamoylamino]propionic acid Formula: C17H24N2O7S MolecularWeight: 400.44666

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2=CC=C(C=C2)NC(=S)NC(C)C(=O)O)O)OC)O

Isomeric SMILES

CC1C(C(C(C(O1)OC2=CC=C(C=C2)NC(=S)NC(C)C(=O)O)O)OC)O

InChI

InChI=1S/C17H24N2O7S/c1-8(15(22)23)18-17(27)19-10-4-6-11(7-5-10)26-16-13(21)14(24-3)12(20)9(2)25-16/h4-9,12-14,16,20-21H,1-3H3,(H,22,23)(H2,18,19,27)