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

Systemtic Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxo-butanoate CAS Name: 4-[[5-[(2-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]amino]-4-oxobutanoate Traditional Name: 4-[[5-[(2-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyrate Formula: C13H11ClN3O3S2- MolecularWeight: 356.82774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O3S2/c14-9-4-2-1-3-8(9)7-21-13-17-16-12(22-13)15-10(18)5-6-11(19)20/h1-4H,5-7H2,(H,19,20)(H,15,16,18)/p-1