propan-2-yl (E)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate

Systemtic Name: propan-2-yl (E)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate Openeye Name: isopropyl (E)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethyl-phenyl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethylphenyl]-2-cyano-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-3-[3-(1,3-benzoxazol-2-ylsulfanylmethyl)-2,5-dimethylphenyl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[3-[(1,3-benzoxazol-2-ylthio)methyl]-2,5-dimethyl-phenyl]-2-cyano-acrylic acid isopropyl ester Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=C(C#N)C(=O)OC(C)C)C)CSC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)OC(C)C)C)CSC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C23H22N2O3S/c1-14(2)27-22(26)18(12-24)11-17-9-15(3)10-19(16(17)4)13-29-23-25-20-7-5-6-8-21(20)28-23/h5-11,14H,13H2,1-4H3/b18-11+