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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

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