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

Systemtic Name: O-methyl 2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbothioate Openeye Name: O-methyl 3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbothioate CAS Name: 3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbothioic acid O-methyl ester IUPAC Name: O-methyl 3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbothioate Traditional Name: 3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-carbothioic acid O-methyl ester Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=S)OC)N3CCCC3=O)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C(=S)OC)N3CCCC3=O)O)C

InChI

InChI=1S/C17H21NO4S/c1-17(2)15(20)14(18-8-4-5-13(18)19)11-9-10(16(23)21-3)6-7-12(11)22-17/h6-7,9,14-15,20H,4-5,8H2,1-3H3