methyl 4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(2-thiazolin-2-ylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C14H16N2O3S2 MolecularWeight: 324.41844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NCCS2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)CSC2=NCCS2

InChI

InChI=1S/C14H16N2O3S2/c1-19-13(18)11-4-2-10(3-5-11)8-16-12(17)9-21-14-15-6-7-20-14/h2-5H,6-9H2,1H3,(H,16,17)