2-[1-(propoxyamino)butylidene]-5-(thian-3-yl)cyclohexane-1,3-dione

Systemtic Name: 2-[1-(propoxyamino)butylidene]-5-(thian-3-yl)cyclohexane-1,3-dione Openeye Name: 2-[1-(propoxyamino)butylidene]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione CAS Name: 2-[1-(propoxyamino)butylidene]-5-(3-thianyl)cyclohexane-1,3-dione IUPAC Name: 2-[1-(propoxyamino)butylidene]-5-(thian-3-yl)cyclohexane-1,3-dione Traditional Name: 2-[1-(propoxyamino)butylidene]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-quinone Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCCC

Isomeric SMILES

CCCC(=C1C(=O)CC(CC1=O)C2CCCSC2)NOCCC

InChI

InChI=1S/C18H29NO3S/c1-3-6-15(19-22-8-4-2)18-16(20)10-14(11-17(18)21)13-7-5-9-23-12-13/h13-14,19H,3-12H2,1-2H3