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

Systemtic Name: 4-[[5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[3-(4-methylphenoxy)propyl]-1,3,4-thiadiazol-2-yl]amino]butyrate Formula: C16H18N3O4S- MolecularWeight: 348.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-11-4-6-12(7-5-11)23-10-2-3-14-18-19-16(24-14)17-13(20)8-9-15(21)22/h4-7H,2-3,8-10H2,1H3,(H,21,22)(H,17,19,20)/p-1