2-(methoxymethyl)-N,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide

Systemtic Name: 2-(methoxymethyl)-N,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromene-4-carbothioamide Openeye Name: 3-hydroxy-2-(methoxymethyl)-N,2-dimethyl-6-nitro-chromane-4-carbothioamide CAS Name: 3-hydroxy-2-(methoxymethyl)-N,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-carbothioamide IUPAC Name: 3-hydroxy-2-(methoxymethyl)-N,2-dimethyl-6-nitro-3,4-dihydrochromene-4-carbothioamide Traditional Name: 3-hydroxy-2-(methoxymethyl)-N,2-dimethyl-6-nitro-chroman-4-carbothioamide Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)O)COC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])C(=S)NC)O)COC

InChI

InChI=1S/C14H18N2O5S/c1-14(7-20-3)12(17)11(13(22)15-2)9-6-8(16(18)19)4-5-10(9)21-14/h4-6,11-12,17H,7H2,1-3H3,(H,15,22)