[2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(pentan-2-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(1-methylbutylamino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-oxo-2-(pentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-2-ylamino)ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-(1-methylbutylamino)ethyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

Isomeric SMILES

CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

InChI

InChI=1S/C18H22N2O3S2/c1-3-6-13(2)20-17(21)9-23-18(22)15-7-4-5-8-16(15)25-11-14-10-24-12-19-14/h4-5,7-8,10,12-13H,3,6,9,11H2,1-2H3,(H,20,21)