(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(methylthio)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methylsulfanylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(methylthio)phenyl]acrylic acid Formula: C17H13NO3S2 MolecularWeight: 343.42002

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CSC1=CC=C(C=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H13NO3S2/c1-22-12-8-6-11(7-9-12)10-15(16(19)20)23-17-18-13-4-2-3-5-14(13)21-17/h2-10H,1H3,(H,19,20)/b15-10+