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

Systemtic Name: ethyl 4-oxidanylidene-4-[[5-(3-phenoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Openeye Name: ethyl 4-oxo-4-[[5-(3-phenoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoate CAS Name: 4-oxo-4-[[5-(3-phenoxypropylthio)-1,3,4-thiadiazol-2-yl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[[5-(3-phenoxypropylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]butanoate Traditional Name: 4-keto-4-[[5-(3-phenoxypropylthio)-1,3,4-thiadiazol-2-yl]amino]butyric acid ethyl ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCCCOC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CCC(=O)NC1=NN=C(S1)SCCCOC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S2/c1-2-23-15(22)10-9-14(21)18-16-19-20-17(26-16)25-12-6-11-24-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3,(H,18,19,21)