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

Systemtic Name: methyl 4-[2-[4-(4-methylphenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[4-(p-tolylsulfanyl)butanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4-methylphenyl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[4-(p-tolylthio)butanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H22N2O3S2/c1-15-5-11-18(12-6-15)28-13-3-4-20(25)24-22-23-19(14-29-22)16-7-9-17(10-8-16)21(26)27-2/h5-12,14H,3-4,13H2,1-2H3,(H,23,24,25)