(3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbothioamide

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyrrolidin-1-yl)-3,4-dihydrochromene-6-carbothioamide Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)chromane-6-carbothioamide CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-6-carbothioamide IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbothioamide Traditional Name: (3S)-3-hydroxy-4-(2-ketopyrrolidino)-2,2-dimethyl-chroman-6-carbothioamide Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C(=S)N)N3CCCC3=O)O)C

InChI

InChI=1S/C16H20N2O3S/c1-16(2)14(20)13(18-7-3-4-12(18)19)10-8-9(15(17)22)5-6-11(10)21-16/h5-6,8,13-14,20H,3-4,7H2,1-2H3,(H2,17,22)/t13?,14-/m0/s1