methyl 4-[2-[4-(phenylmethylsulfanyl)butanoylamino]-1,3-thiazol-4-yl]benzoate

Systemtic Name: methyl 4-[2-[4-(phenylmethylsulfanyl)butanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-(4-benzylsulfanylbutanoylamino)thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-benzylsulfanylbutanoylamino)-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-(benzylthio)butanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O3S2/c1-27-21(26)18-11-9-17(10-12-18)19-15-29-22(23-19)24-20(25)8-5-13-28-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,15H,5,8,13-14H2,1H3,(H,23,24,25)