(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4,5-dimethoxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4,5-dimethoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4,5-dimethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4,5-dimethoxy-phenyl)acrylate Formula: C18H13ClNO5S- MolecularWeight: 390.81752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClNO5S/c1-23-14-8-10(7-11(19)16(14)24-2)9-15(17(21)22)26-18-20-12-5-3-4-6-13(12)25-18/h3-9H,1-2H3,(H,21,22)/p-1/b15-9+