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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC2=CSC=N2

InChI

InChI=1S/C18H22N2O3S2/c1-13(2)7-8-19-17(21)9-23-18(22)15-5-3-4-6-16(15)25-11-14-10-24-12-20-14/h3-6,10,12-13H,7-9,11H2,1-2H3,(H,19,21)