5-oxidanyl-2-[2-(thiophen-2-ylmethylidene)butanoylamino]benzoic acid

Systemtic Name: 5-oxidanyl-2-[2-(thiophen-2-ylmethylidene)butanoylamino]benzoic acid Openeye Name: 5-hydroxy-2-[2-(2-thienylmethylene)butanoylamino]benzoic acid CAS Name: 5-hydroxy-2-[[1-oxo-2-(thiophen-2-ylmethylidene)butyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[2-(thiophen-2-ylmethylidene)butanoylamino]benzoic acid Traditional Name: 2-[[2-ethyl-3-(2-thienyl)acryloyl]amino]-5-hydroxy-benzoic acid Formula: C16H15NO4S MolecularWeight: 317.3596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CC=CS1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O

Isomeric SMILES

CCC(=CC1=CC=CS1)C(=O)NC2=C(C=C(C=C2)O)C(=O)O

InChI

InChI=1S/C16H15NO4S/c1-2-10(8-12-4-3-7-22-12)15(19)17-14-6-5-11(18)9-13(14)16(20)21/h3-9,18H,2H2,1H3,(H,17,19)(H,20,21)