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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-propan-2-yloxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-isopropoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-propan-2-yloxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-isopropoxy-phenyl)acrylate Formula: C21H20NO5S- MolecularWeight: 398.4522

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO5S/c1-4-25-18-11-14(9-10-17(18)26-13(2)3)12-19(20(23)24)28-21-22-15-7-5-6-8-16(15)27-21/h5-13H,4H2,1-3H3,(H,23,24)/p-1/b19-12+