[2-oxidanylidene-2-(phenethylamino)ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CSC(=N1)SCC2=CC=CC=C2C(=O)OCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c24-19(22-11-10-16-6-2-1-3-7-16)14-26-20(25)18-9-5-4-8-17(18)15-28-21-23-12-13-27-21/h1-9H,10-15H2,(H,22,24)