(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoic acid

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-bromo-2-methoxyphenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-bromo-2-methoxy-phenyl)acrylic acid Formula: C17H12BrNO4S MolecularWeight: 406.25048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrNO4S/c1-22-13-7-6-11(18)8-10(13)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-