1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone

Systemtic Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone Openeye Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone CAS Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylthio)phenoxy]ethanone IUPAC Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylsulfanyl)phenoxy]ethanone Traditional Name: 1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[4-(5-phenylpentylthio)phenoxy]ethanone Formula: C27H27NO3S2 MolecularWeight: 477.63818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C(=O)COC3=CC=C(C=C3)SCCCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C(=O)COC3=CC=C(C=C3)SCCCCCC4=CC=CC=C4

InChI

InChI=1S/C27H27NO3S2/c1-30-22-13-16-24-26(18-22)33-27(28-24)25(29)19-31-21-11-14-23(15-12-21)32-17-7-3-6-10-20-8-4-2-5-9-20/h2,4-5,8-9,11-16,18H,3,6-7,10,17,19H2,1H3