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

Systemtic Name: methyl 4-[2-[2-(4-methylphenyl)sulfanylethanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[[2-(p-tolylsulfanyl)acetyl]amino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[[2-(p-tolylthio)acetyl]amino]thiazol-4-yl]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O3S2/c1-13-3-9-16(10-4-13)26-12-18(23)22-20-21-17(11-27-20)14-5-7-15(8-6-14)19(24)25-2/h3-11H,12H2,1-2H3,(H,21,22,23)