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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NCCS2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NCCS2

InChI

InChI=1S/C14H16N2O3S2/c1-9-3-4-10(13(18)19-2)7-11(9)16-12(17)8-21-14-15-5-6-20-14/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)