5-(dimethylamino)-1-[8-[5-(dimethylamino)pentanoyl]phenoxathiin-2-yl]pentan-1-one

Systemtic Name: 5-(dimethylamino)-1-[8-[5-(dimethylamino)pentanoyl]phenoxathiin-2-yl]pentan-1-one Openeye Name: 5-(dimethylamino)-1-[8-[5-(dimethylamino)pentanoyl]phenoxathiin-2-yl]pentan-1-one CAS Name: 5-(dimethylamino)-1-[8-[5-(dimethylamino)-1-oxopentyl]-2-phenoxathiinyl]-1-pentanone IUPAC Name: 5-(dimethylamino)-1-[8-[5-(dimethylamino)pentanoyl]phenoxathiin-2-yl]pentan-1-one Traditional Name: 5-(dimethylamino)-1-[8-[5-(dimethylamino)pentanoyl]phenoxathiin-2-yl]pentan-1-one Formula: C26H34N2O3S MolecularWeight: 454.62476

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCC(=O)C1=CC2=C(C=C1)OC3=C(S2)C=C(C=C3)C(=O)CCCCN(C)C

Isomeric SMILES

CN(C)CCCCC(=O)C1=CC2=C(C=C1)OC3=C(S2)C=C(C=C3)C(=O)CCCCN(C)C

InChI

InChI=1S/C26H34N2O3S/c1-27(2)15-7-5-9-21(29)19-11-13-23-25(17-19)32-26-18-20(12-14-24(26)31-23)22(30)10-6-8-16-28(3)4/h11-14,17-18H,5-10,15-16H2,1-4H3