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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)OCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-2-11-3-5-12(6-4-11)23-10-9-14-18-19-16(24-14)17-13(20)7-8-15(21)22/h3-6H,2,7-10H2,1H3,(H,21,22)(H,17,19,20)/p-1