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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-prop-2-ynoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-ethoxy-4-propargyloxy-phenyl)acrylate Formula: C21H16NO5S- MolecularWeight: 394.42044

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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)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO5S/c1-3-11-26-17-10-9-14(12-18(17)25-4-2)13-19(20(23)24)28-21-22-15-7-5-6-8-16(15)27-21/h1,5-10,12-13H,4,11H2,2H3,(H,23,24)/p-1/b19-13+