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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-phenyl-prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-phenyl-prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-phenyl-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-phenylprop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-phenyl-acrylic acid Formula: C16H11NO3S MolecularWeight: 297.32844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO3S/c18-15(19)14(10-11-6-2-1-3-7-11)21-16-17-12-8-4-5-9-13(12)20-16/h1-10H,(H,18,19)/b14-10+