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

Systemtic Name: 4-oxidanylidene-4-[(5-phenethyl-1,3,4-thiadiazol-2-yl)amino]butanoate Openeye Name: 4-oxo-4-[(5-phenethyl-1,3,4-thiadiazol-2-yl)amino]butanoate CAS Name: 4-oxo-4-[(5-phenethyl-1,3,4-thiadiazol-2-yl)amino]butanoate IUPAC Name: 4-oxo-4-[(5-phenethyl-1,3,4-thiadiazol-2-yl)amino]butanoate Traditional Name: 4-keto-4-[(5-phenethyl-1,3,4-thiadiazol-2-yl)amino]butyrate Formula: C14H14N3O3S- MolecularWeight: 304.34426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C14H15N3O3S/c18-11(7-9-13(19)20)15-14-17-16-12(21-14)8-6-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,19,20)(H,15,17,18)/p-1