4-oxidanylidene-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate

Systemtic Name: 4-oxidanylidene-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Openeye Name: 4-oxo-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate CAS Name: 4-oxo-4-[[5-[2-(phenylthio)ethyl]-1,3,4-thiadiazol-2-yl]amino]butanoate IUPAC Name: 4-oxo-4-[[5-(2-phenylsulfanylethyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Traditional Name: 4-keto-4-[[5-[2-(phenylthio)ethyl]-1,3,4-thiadiazol-2-yl]amino]butyrate Formula: C14H14N3O3S2- MolecularWeight: 336.40926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)SCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H15N3O3S2/c18-11(6-7-13(19)20)15-14-17-16-12(22-14)8-9-21-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,19,20)(H,15,17,18)/p-1