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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C17H20N2O3S2/c1-12(2)7-18-16(20)8-22-17(21)13-3-5-15(6-4-13)24-10-14-9-23-11-19-14/h3-6,9,11-12H,7-8,10H2,1-2H3,(H,18,20)