4-butanimidoyl-3-oxidanyl-2-propoxy-5-(thian-3-yl)cyclohex-2-en-1-one

Systemtic Name: 4-butanimidoyl-3-oxidanyl-2-propoxy-5-(thian-3-yl)cyclohex-2-en-1-one Openeye Name: 4-butanimidoyl-3-hydroxy-2-propoxy-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one CAS Name: 3-hydroxy-4-(1-iminobutyl)-2-propoxy-5-(3-thianyl)-1-cyclohex-2-enone IUPAC Name: 4-butanimidoyl-3-hydroxy-2-propoxy-5-(thian-3-yl)cyclohex-2-en-1-one Traditional Name: 4-butanimidoyl-3-hydroxy-2-propoxy-5-tetrahydrothiopyran-3-yl-cyclohex-2-en-1-one Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=N)C1C(CC(=O)C(=C1O)OCCC)C2CCCSC2

Isomeric SMILES

CCCC(=N)C1C(CC(=O)C(=C1O)OCCC)C2CCCSC2

InChI

InChI=1S/C18H29NO3S/c1-3-6-14(19)16-13(12-7-5-9-23-11-12)10-15(20)18(17(16)21)22-8-4-2/h12-13,16,19,21H,3-11H2,1-2H3