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

Systemtic Name: 4-oxidanylidene-4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Openeye Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]amino]butanoate IUPAC Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate Traditional Name: 4-[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyrate Formula: C13H12N3O3S2- MolecularWeight: 322.38268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O3S2/c17-10(6-7-11(18)19)14-12-15-16-13(21-12)20-8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,18,19)(H,14,15,17)/p-1