5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylic acid

Systemtic Name: 5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylic acid Openeye Name: 5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylic acid CAS Name: 5-[[1-oxo-4-(phenylthio)butyl]amino]-2-thiophenecarboxylic acid IUPAC Name: 5-(4-phenylsulfanylbutanoylamino)thiophene-2-carboxylic acid Traditional Name: 5-[4-(phenylthio)butanoylamino]-2-thenoic acid Formula: C15H15NO3S2 MolecularWeight: 321.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(S2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SCCCC(=O)NC2=CC=C(S2)C(=O)O

InChI

InChI=1S/C15H15NO3S2/c17-13(16-14-9-8-12(21-14)15(18)19)7-4-10-20-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2,(H,16,17)(H,18,19)