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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid Formula: C19H17NO5S MolecularWeight: 371.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO5S/c1-3-24-15-9-8-12(10-16(15)23-2)11-17(18(21)22)26-19-20-13-6-4-5-7-14(13)25-19/h4-11H,3H2,1-2H3,(H,21,22)/b17-11+