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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4-ethoxy-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-ethoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-ethoxy-phenyl)acrylate Formula: C18H13ClNO4S- MolecularWeight: 374.81812

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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)/p-1/b16-10+