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

Systemtic Name: methyl 4-[2-(4-phenylsulfanylbutanoylamino)-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-(4-phenylsulfanylbutanoylamino)thiazol-4-yl]benzoate CAS Name: 4-[2-[[1-oxo-4-(phenylthio)butyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-phenylsulfanylbutanoylamino)-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-(phenylthio)butanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCSC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S2/c1-26-20(25)16-11-9-15(10-12-16)18-14-28-21(22-18)23-19(24)8-5-13-27-17-6-3-2-4-7-17/h2-4,6-7,9-12,14H,5,8,13H2,1H3,(H,22,23,24)