[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(benzylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-oxo-1-[(phenylmethyl)amino]propan-2-yl] ester IUPAC Name: [1-(benzylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(benzylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C21H20N2O3S2/c1-15(20(24)22-11-16-5-3-2-4-6-16)26-21(25)17-7-9-19(10-8-17)28-13-18-12-27-14-23-18/h2-10,12,14-15H,11,13H2,1H3,(H,22,24)