(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-chloranyl-2-propan-2-yloxy-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-chloranyl-2-propan-2-yloxy-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-chloro-2-isopropoxy-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-chloro-2-propan-2-yloxyphenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-chloro-2-propan-2-yloxyphenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-chloro-2-isopropoxy-phenyl)acrylic acid Formula: C19H16ClNO4S MolecularWeight: 389.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Cl)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Cl)/C=C(/C(=O)O)\SC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C19H16ClNO4S/c1-11(2)24-15-8-7-13(20)9-12(15)10-17(18(22)23)26-19-21-14-5-3-4-6-16(14)25-19/h3-11H,1-2H3,(H,22,23)/b17-10-