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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-hydroxy-3-methoxy-phenyl)acrylate Formula: C17H12NO5S- MolecularWeight: 342.34588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)O

InChI

InChI=1S/C17H13NO5S/c1-22-14-8-10(6-7-12(14)19)9-15(16(20)21)24-17-18-11-4-2-3-5-13(11)23-17/h2-9,19H,1H3,(H,20,21)/p-1/b15-9+