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

Systemtic Name: methyl 4-[2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[3-(p-tolylsulfanyl)propanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[3-(p-tolylthio)propanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S2/c1-14-3-9-17(10-4-14)27-12-11-19(24)23-21-22-18(13-28-21)15-5-7-16(8-6-15)20(25)26-2/h3-10,13H,11-12H2,1-2H3,(H,22,23,24)