O-methyl 2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-6-carbothioate

Systemtic Name: O-methyl 2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepiperidin-1-yl)-3,4-dihydrochromene-6-carbothioate Openeye Name: O-methyl 3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidyl)chromane-6-carbothioate CAS Name: 3-hydroxy-2,2-dimethyl-4-(2-oxo-1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbothioic acid O-methyl ester IUPAC Name: O-methyl 3-hydroxy-2,2-dimethyl-4-(2-oxopiperidin-1-yl)-3,4-dihydrochromene-6-carbothioate Traditional Name: 3-hydroxy-4-(2-ketopiperidino)-2,2-dimethyl-chroman-6-carbothioic acid O-methyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=S)OC)N3CCCCC3=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C(=S)OC)N3CCCCC3=O)O)C

InChI

InChI=1S/C18H23NO4S/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(24)22-3)7-8-13(12)23-18/h7-8,10,15-16,21H,4-6,9H2,1-3H3