(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromanyl-4-methyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromanyl-4-methyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromo-4-methyl-phenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-bromo-4-methylphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-bromo-4-methylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-bromo-4-methyl-phenyl)acrylic acid Formula: C17H12BrNO3S MolecularWeight: 390.25108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C(=O)O)SC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C(=O)O)/SC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C17H12BrNO3S/c1-10-6-7-11(8-12(10)18)9-15(16(20)21)23-17-19-13-4-2-3-5-14(13)22-17/h2-9H,1H3,(H,20,21)/b15-9+