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

Systemtic Name: methyl 4-[2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]benzoate Openeye Name: methyl 4-[2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]thiazol-4-yl]benzoate CAS Name: 4-[2-[[3-[(4-methoxyphenyl)thio]-1-oxopropyl]amino]-4-thiazolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3-(4-methoxyphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]benzoate Traditional Name: 4-[2-[3-[(4-methoxyphenyl)thio]propanoylamino]thiazol-4-yl]benzoic acid methyl ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)SCCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O4S2/c1-26-16-7-9-17(10-8-16)28-12-11-19(24)23-21-22-18(13-29-21)14-3-5-15(6-4-14)20(25)27-2/h3-10,13H,11-12H2,1-2H3,(H,22,23,24)