3-chloranyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-oxidanyl-3-[(Z)-N-propoxy-C-propyl-carbonimidoyl]-6-(thian-3-yl)cyclohex-3-en-1-one

Systemtic Name: 3-chloranyl-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-oxidanyl-3-[(Z)-N-propoxy-C-propyl-carbonimidoyl]-6-(thian-3-yl)cyclohex-3-en-1-one Openeye Name: 3-chloro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-hydroxy-3-[(Z)-N-propoxy-C-propyl-carbonimidoyl]-6-tetrahydrothiopyran-3-yl-cyclohex-3-en-1-one CAS Name: 3-chloro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-hydroxy-3-[(1Z)-1-propoxyiminobutyl]-6-(3-thianyl)-1-cyclohex-3-enone IUPAC Name: 3-chloro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-hydroxy-3-[(Z)-N-propoxy-C-propylcarbonimidoyl]-6-(thian-3-yl)cyclohex-3-en-1-one Traditional Name: 3-chloro-7-oxabicyclo[2.2.1]hepta-1,3,5-triene; 2-hydroxy-3-[(Z)-N-propoxy-C-propyl-carbonimidoyl]-6-tetrahydrothiopyran-3-yl-cyclohex-3-en-1-one Formula: C24H32ClNO4S MolecularWeight: 466.03318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCCC)C1=CCC(C(=O)C1O)C2CCCSC2.C1=CC2=C(C=C1O2)Cl

Isomeric SMILES

CCC/C(=N/OCCC)/C1=CCC(C(=O)C1O)C2CCCSC2.C1=CC2=C(C=C1O2)Cl

InChI

InChI=1S/C18H29NO3S.C6H3ClO/c1-3-6-16(19-22-10-4-2)15-9-8-14(17(20)18(15)21)13-7-5-11-23-12-13;7-5-3-4-1-2-6(5)8-4/h9,13-14,18,21H,3-8,10-12H2,1-2H3;1-3H/b19-16-;