(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(cyanomethoxy)phenyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(cyanomethoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(cyanomethoxy)phenyl]acrylate Formula: C18H11N2O4S- MolecularWeight: 351.35594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=CC=C(C=C3)OCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C/C3=CC=C(C=C3)OCC#N)/C(=O)[O-]

InChI

InChI=1S/C18H12N2O4S/c19-9-10-23-13-7-5-12(6-8-13)11-16(17(21)22)25-18-20-14-3-1-2-4-15(14)24-18/h1-8,11H,10H2,(H,21,22)/p-1/b16-11+