methyl 4-methyl-3-[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4-methyl-3-[[4-(thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4-methyl-3-[[oxo-[4-(4-thiazolylmethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[4-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4-methyl-3-[[4-(thiazol-4-ylmethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

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