methyl 2-methyl-5-[6-oxidanylidene-5-(thiophen-2-ylcarbonylamino)heptyl]-1,3-dioxane-2-carboxylate

Systemtic Name: methyl 2-methyl-5-[6-oxidanylidene-5-(thiophen-2-ylcarbonylamino)heptyl]-1,3-dioxane-2-carboxylate Openeye Name: methyl 2-methyl-5-[6-oxo-5-(thiophene-2-carbonylamino)heptyl]-1,3-dioxane-2-carboxylate CAS Name: 2-methyl-5-[6-oxo-5-[[oxo(thiophen-2-yl)methyl]amino]heptyl]-1,3-dioxane-2-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[6-oxo-5-(thiophene-2-carbonylamino)heptyl]-1,3-dioxane-2-carboxylate Traditional Name: 5-[6-keto-5-(2-thenoylamino)heptyl]-2-methyl-1,3-dioxane-2-carboxylic acid methyl ester Formula: C19H27NO6S MolecularWeight: 397.48578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(=O)C(CCCCC1COC(OC1)(C)C(=O)OC)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H27NO6S/c1-13(21)15(20-17(22)16-9-6-10-27-16)8-5-4-7-14-11-25-19(2,26-12-14)18(23)24-3/h6,9-10,14-15H,4-5,7-8,11-12H2,1-3H3,(H,20,22)