(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-prop-2-ynoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxy-4-prop-2-ynoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-methoxy-4-propargyloxy-phenyl)acrylic acid Formula: C20H15NO5S MolecularWeight: 381.4018

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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)OCC#C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2)OCC#C

InChI

InChI=1S/C20H15NO5S/c1-3-10-25-16-9-8-13(11-17(16)24-2)12-18(19(22)23)27-20-21-14-6-4-5-7-15(14)26-20/h1,4-9,11-12H,10H2,2H3,(H,22,23)/b18-12+