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

Systemtic Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromanyl-2-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromo-2-hydroxy-phenyl)prop-2-enoic acid CAS Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-bromo-2-hydroxyphenyl)-2-propenoic acid IUPAC Name: (Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-bromo-2-hydroxyphenyl)prop-2-enoic acid Traditional Name: (Z)-2-(1,3-benzoxazol-2-ylthio)-3-(5-bromo-2-hydroxy-phenyl)acrylic acid Formula: C16H10BrNO4S MolecularWeight: 392.2239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=C(C=CC(=C3)Br)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C\C3=C(C=CC(=C3)Br)O)/C(=O)O

InChI

InChI=1S/C16H10BrNO4S/c17-10-5-6-12(19)9(7-10)8-14(15(20)21)23-16-18-11-3-1-2-4-13(11)22-16/h1-8,19H,(H,20,21)/b14-8-