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

Systemtic Name: ethyl 4-oxidanylidene-4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Openeye Name: ethyl 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]butanoic acid ethyl ester IUPAC Name: ethyl 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-butyric acid ethyl ester Formula: C15H17N3O3S2 MolecularWeight: 351.44378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCC2=CC=CC=C2

InChI

InChI=1S/C15H17N3O3S2/c1-2-21-13(20)9-8-12(19)16-14-17-18-15(23-14)22-10-11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3,(H,16,17,19)