[2-oxidanylidene-2-(pentylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C19H24N2O3S2 MolecularWeight: 392.53546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CS2)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=CC=C1CSC2=NC(=CS2)C

InChI

InChI=1S/C19H24N2O3S2/c1-3-4-7-10-20-17(22)11-24-18(23)16-9-6-5-8-15(16)13-26-19-21-14(2)12-25-19/h5-6,8-9,12H,3-4,7,10-11,13H2,1-2H3,(H,20,22)