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

Systemtic Name: 4-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-keto-4-[[5-[2-(3-methylphenoxy)ethyl]-1,3,4-thiadiazol-2-yl]amino]butyrate Formula: C15H16N3O4S- MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCC2=NN=C(S2)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C15H17N3O4S/c1-10-3-2-4-11(9-10)22-8-7-13-17-18-15(23-13)16-12(19)5-6-14(20)21/h2-4,9H,5-8H2,1H3,(H,20,21)(H,16,18,19)/p-1