3-[(3-oxidanidyl-3-oxidanylidene-propyl)-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoate

Systemtic Name: 3-[(3-oxidanidyl-3-oxidanylidene-propyl)-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]propanoate Openeye Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(3-oxido-3-oxo-propyl)amino]propanoate CAS Name: 3-[(3-oxido-3-oxopropyl)-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]propanoate IUPAC Name: 3-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-(3-oxido-3-oxopropyl)amino]propanoate Traditional Name: 3-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-(3-keto-3-oxido-propyl)amino]propionate Formula: C15H15N3O4S2-2 MolecularWeight: 365.4273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC(=O)[O-])CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)N(CCC(=O)[O-])CCC(=O)[O-]

InChI

InChI=1S/C15H17N3O4S2/c19-12(20)6-8-18(9-7-13(21)22)14-16-17-15(24-14)23-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,20)(H,21,22)/p-2