methyl 2-[[4,5-bis(oxidanyl)-3-(thiophen-2-ylcarbonylamino)cyclohexen-1-yl]carbonylamino]propanoate

Systemtic Name: methyl 2-[[4,5-bis(oxidanyl)-3-(thiophen-2-ylcarbonylamino)cyclohexen-1-yl]carbonylamino]propanoate Openeye Name: methyl 2-[[4,5-dihydroxy-3-(thiophene-2-carbonylamino)cyclohexene-1-carbonyl]amino]propanoate CAS Name: 2-[[[4,5-dihydroxy-3-[[oxo(thiophen-2-yl)methyl]amino]-1-cyclohexenyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[[4,5-dihydroxy-3-(thiophene-2-carbonylamino)cyclohexene-1-carbonyl]amino]propanoate Traditional Name: 2-[[4,5-dihydroxy-3-(2-thenoylamino)cyclohexene-1-carbonyl]amino]propionic acid methyl ester Formula: C16H20N2O6S MolecularWeight: 368.4048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C(=O)OC)NC(=O)C1=CC(C(C(C1)O)O)NC(=O)C2=CC=CS2

InChI

InChI=1S/C16H20N2O6S/c1-8(16(23)24-2)17-14(21)9-6-10(13(20)11(19)7-9)18-15(22)12-4-3-5-25-12/h3-6,8,10-11,13,19-20H,7H2,1-2H3,(H,17,21)(H,18,22)