(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid Formula: C17H13NO5S MolecularWeight: 343.35382

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO5S/c1-22-14-7-6-10(8-12(14)19)9-15(16(20)21)24-17-18-11-4-2-3-5-13(11)23-17/h2-9,19H,1H3,(H,20,21)/b15-9-