4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)sulfanyl]-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)thio]-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C14H12N2O5S MolecularWeight: 320.32048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(O1)SC(=CC2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CCC1=NN=C(O1)S/C(=C/C2=CC=C(C=C2)C(=O)O)/C(=O)O

InChI

InChI=1S/C14H12N2O5S/c1-2-11-15-16-14(21-11)22-10(13(19)20)7-8-3-5-9(6-4-8)12(17)18/h3-7H,2H2,1H3,(H,17,18)(H,19,20)/b10-7+