methyl 3-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoyl]amino]-4-methyl-benzoate CAS Name: 3-[[[2-[(4,5-dihydrothiazol-2-ylthio)methyl]phenyl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[2-[(2-thiazolin-2-ylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C20H20N2O3S2/c1-13-7-8-14(19(24)25-2)11-17(13)22-18(23)16-6-4-3-5-15(16)12-27-20-21-9-10-26-20/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)