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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloranyl-4-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-chloro-4-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-chloro-4-methoxy-phenyl)acrylic acid Formula: C17H12ClNO4S MolecularWeight: 361.79948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClNO4S/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)/b15-9+