2-[[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[5-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid CAS Name: 2-[oxo-[[5-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]-1,3,4-thiadiazol-2-yl]amino]methyl]benzoic acid IUPAC Name: 2-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 2-[[5-[(2-keto-2-pyrrolidino-ethyl)thio]-1,3,4-thiadiazol-2-yl]carbamoyl]benzoic acid Formula: C16H16N4O4S2 MolecularWeight: 392.45264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H16N4O4S2/c21-12(20-7-3-4-8-20)9-25-16-19-18-15(26-16)17-13(22)10-5-1-2-6-11(10)14(23)24/h1-2,5-6H,3-4,7-9H2,(H,23,24)(H,17,18,22)