methyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(thiazol-4-ylmethylsulfanyl)benzoyl]amino]butanoate CAS Name: 4-[[oxo-[2-(4-thiazolylmethylthio)phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]amino]butanoate Traditional Name: 4-[[2-(thiazol-4-ylmethylthio)benzoyl]amino]butyric acid methyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC=CC=C1SCC2=CSC=N2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC=CC=C1SCC2=CSC=N2

InChI

InChI=1S/C16H18N2O3S2/c1-21-15(19)7-4-8-17-16(20)13-5-2-3-6-14(13)23-10-12-9-22-11-18-12/h2-3,5-6,9,11H,4,7-8,10H2,1H3,(H,17,20)