(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4-ethoxy-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4-ethoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-ethoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-ethoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-ethoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-ethoxy-phenyl)acrylic acid Formula: C18H14ClNO4S MolecularWeight: 375.82606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2)Cl

InChI

InChI=1S/C18H14ClNO4S/c1-2-23-14-8-7-11(9-12(14)19)10-16(17(21)22)25-18-20-13-5-3-4-6-15(13)24-18/h3-10H,2H2,1H3,(H,21,22)/b16-10+