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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O3S2/c1-5-19(3,4)21-16(22)10-24-17(23)15-9-7-6-8-14(15)12-26-18-20-13(2)11-25-18/h6-9,11H,5,10,12H2,1-4H3,(H,21,22)