2-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylethanoate

Systemtic Name: 2-[3-(benzotriazol-2-yl)-4-oxidanyl-phenyl]ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylethanoate Openeye Name: 2-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]ethyl 2-[(E)-cinnamyl]sulfanylacetate CAS Name: 2-[[(E)-3-phenylprop-2-enyl]thio]acetic acid 2-[3-(2-benzotriazolyl)-4-hydroxyphenyl]ethyl ester IUPAC Name: 2-[3-(benzotriazol-2-yl)-4-hydroxyphenyl]ethyl 2-[(E)-3-phenylprop-2-enyl]sulfanylacetate Traditional Name: 2-[[(E)-cinnamyl]thio]acetic acid 2-[3-(benzotriazol-2-yl)-4-hydroxy-phenyl]ethyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCSCC(=O)OCCC2=CC(=C(C=C2)O)N3N=C4C=CC=CC4=N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CSCC(=O)OCCC2=CC(=C(C=C2)O)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C25H23N3O3S/c29-24-13-12-20(17-23(24)28-26-21-10-4-5-11-22(21)27-28)14-15-31-25(30)18-32-16-6-9-19-7-2-1-3-8-19/h1-13,17,29H,14-16,18H2/b9-6+