2-[4-(propoxyamino)butyl]-5-(thian-3-yl)cyclohexane-1,3-dione

Systemtic Name: 2-[4-(propoxyamino)butyl]-5-(thian-3-yl)cyclohexane-1,3-dione Openeye Name: 2-[4-(propoxyamino)butyl]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-dione CAS Name: 2-[4-(propoxyamino)butyl]-5-(3-thianyl)cyclohexane-1,3-dione IUPAC Name: 2-[4-(propoxyamino)butyl]-5-(thian-3-yl)cyclohexane-1,3-dione Traditional Name: 2-[4-(propoxyamino)butyl]-5-tetrahydrothiopyran-3-yl-cyclohexane-1,3-quinone Formula: C18H31NO3S MolecularWeight: 341.50864

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Descriptors Computed from Structure

Canonical SMILES:

CCCONCCCCC1C(=O)CC(CC1=O)C2CCCSC2

Isomeric SMILES

CCCONCCCCC1C(=O)CC(CC1=O)C2CCCSC2

InChI

InChI=1S/C18H31NO3S/c1-2-9-22-19-8-4-3-7-16-17(20)11-15(12-18(16)21)14-6-5-10-23-13-14/h14-16,19H,2-13H2,1H3