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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O3S2/c1-2-3-8-18-16(20)9-22-17(21)13-4-6-15(7-5-13)24-11-14-10-23-12-19-14/h4-7,10,12H,2-3,8-9,11H2,1H3,(H,18,20)