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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoate Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-propenoate IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-hydroxy-5-methoxy-phenyl)acrylate Formula: C17H11ClNO5S- MolecularWeight: 376.79094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO5S/c1-23-13-7-9(6-10(18)15(13)20)8-14(16(21)22)25-17-19-11-4-2-3-5-12(11)24-17/h2-8,20H,1H3,(H,21,22)/p-1/b14-8+