ethyl 6-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate

Systemtic Name: ethyl 6-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate Openeye Name: ethyl 6-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)pentoxy]phenoxy]-2,2-dimethyl-hexanoate CAS Name: 6-[4-[5-(1,3-benzothiazol-2-ylthio)pentoxy]phenoxy]-2,2-dimethylhexanoic acid ethyl ester IUPAC Name: ethyl 6-[4-[5-(1,3-benzothiazol-2-ylsulfanyl)pentoxy]phenoxy]-2,2-dimethylhexanoate Traditional Name: 6-[4-[5-(1,3-benzothiazol-2-ylthio)pentoxy]phenoxy]-2,2-dimethyl-hexanoic acid ethyl ester Formula: C28H37NO4S2 MolecularWeight: 515.72768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCOC(=O)C(C)(C)CCCCOC1=CC=C(C=C1)OCCCCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C28H37NO4S2/c1-4-31-26(30)28(2,3)18-8-10-20-33-23-16-14-22(15-17-23)32-19-9-5-11-21-34-27-29-24-12-6-7-13-25(24)35-27/h6-7,12-17H,4-5,8-11,18-21H2,1-3H3