4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-(1,3-benzoxazol-2-ylthio)-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C17H11NO5S MolecularWeight: 341.33794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO5S/c19-15(20)11-7-5-10(6-8-11)9-14(16(21)22)24-17-18-12-3-1-2-4-13(12)23-17/h1-9H,(H,19,20)(H,21,22)/b14-9+