5-methoxy-2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-6-methylsulfanyl-1,3-benzothiazole

Systemtic Name: 5-methoxy-2-[(E)-2-(3-methoxy-4-phenylmethoxy-phenyl)ethenyl]-6-methylsulfanyl-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-benzyloxy-3-methoxy-phenyl)vinyl]-5-methoxy-6-methylsulfanyl-1,3-benzothiazole CAS Name: 5-methoxy-2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-6-(methylthio)-1,3-benzothiazole IUPAC Name: 5-methoxy-2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-6-methylsulfanyl-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-benzoxy-3-methoxy-phenyl)vinyl]-5-methoxy-6-(methylthio)-1,3-benzothiazole Formula: C25H23NO3S2 MolecularWeight: 449.58502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC(=C(C=C3S2)SC)OC)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC(=C(C=C3S2)SC)OC)OCC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S2/c1-27-21-13-17(9-11-20(21)29-16-18-7-5-4-6-8-18)10-12-25-26-19-14-22(28-2)24(30-3)15-23(19)31-25/h4-15H,16H2,1-3H3/b12-10+