(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-hydroxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-hydroxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-hydroxy-phenyl)acrylate Formula: C18H14NO5S- MolecularWeight: 356.37246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C18H15NO5S/c1-2-23-15-9-11(7-8-13(15)20)10-16(17(21)22)25-18-19-12-5-3-4-6-14(12)24-18/h3-10,20H,2H2,1H3,(H,21,22)/p-1/b16-10+