(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromo-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-bromo-4-methoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromo-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-bromo-4-methoxy-phenyl)acrylate Formula: C17H11BrNO4S- MolecularWeight: 405.24254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C(=O)[O-])SC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C(=O)[O-])/SC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C17H12BrNO4S/c1-22-13-7-6-10(8-11(13)18)9-15(16(20)21)24-17-19-12-4-2-3-5-14(12)23-17/h2-9H,1H3,(H,20,21)/p-1/b15-9+