(E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylthio)-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylsulfanyl)prop-2-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-ylthio)acrylic acid Formula: C17H11NO5S MolecularWeight: 341.33794

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C17H11NO5S/c19-16(20)15(8-10-5-6-13-14(7-10)22-9-21-13)24-17-18-11-3-1-2-4-12(11)23-17/h1-8H,9H2,(H,19,20)/b15-8+