(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-cyanophenyl)furan-2-yl]prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-cyanophenyl)furan-2-yl]prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-cyanophenyl)-2-furyl]prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(2-cyanophenyl)-2-furanyl]-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(2-cyanophenyl)furan-2-yl]prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(2-cyanophenyl)-2-furyl]acrylate Formula: C21H11N2O4S- MolecularWeight: 387.38804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)C=C(C(=O)[O-])SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(O2)/C=C(\C(=O)[O-])/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H12N2O4S/c22-12-13-5-1-2-6-15(13)17-10-9-14(26-17)11-19(20(24)25)28-21-23-16-7-3-4-8-18(16)27-21/h1-11H,(H,24,25)/p-1/b19-11+