2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoic acid

Systemtic Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoic acid Openeye Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thienylidene]methyl]benzoic acid CAS Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyimino-2-thiophenylidene]methyl]benzoic acid IUPAC Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloxyiminothiophen-2-ylidene]methyl]benzoic acid Traditional Name: 2-[(E)-cyano-[(5E)-5-propylsulfonyloximino-2-thienylidene]methyl]benzoic acid Formula: C16H14N2O5S2 MolecularWeight: 378.42276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2C(=O)O)S1

Isomeric SMILES

CCCS(=O)(=O)O/N=C/1\C=C/C(=C(\C#N)/C2=CC=CC=C2C(=O)O)/S1

InChI

InChI=1S/C16H14N2O5S2/c1-2-9-25(21,22)23-18-15-8-7-14(24-15)13(10-17)11-5-3-4-6-12(11)16(19)20/h3-8H,2,9H2,1H3,(H,19,20)/b14-13-,18-15+