[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl] ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S2/c1-5-21(6-2,7-3)23-19(24)12-26-20(25)17-10-8-9-11-18(17)28-14-16-13-27-15(4)22-16/h1,8-11,13H,6-7,12,14H2,2-4H3,(H,23,24)