(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-5-ethoxy-4-methoxy-phenyl)acrylate Formula: C19H15ClNO5S- MolecularWeight: 404.8441

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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)Cl)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClNO5S/c1-3-25-15-9-11(8-12(20)17(15)24-2)10-16(18(22)23)27-19-21-13-6-4-5-7-14(13)26-19/h4-10H,3H2,1-2H3,(H,22,23)/p-1/b16-10+