(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxyphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxyphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxyphenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-hydroxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(3-hydroxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(3-hydroxyphenyl)acrylic acid Formula: C16H11NO4S MolecularWeight: 313.32784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO4S/c18-11-5-3-4-10(8-11)9-14(15(19)20)22-16-17-12-6-1-2-7-13(12)21-16/h1-9,18H,(H,19,20)/b14-9+