[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NCCS2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1CSC2=NCCS2

InChI

InChI=1S/C21H30N2O3S2/c1-15(2)7-6-8-16(3)23-19(24)13-26-20(25)18-10-5-4-9-17(18)14-28-21-22-11-12-27-21/h4-5,9-10,15-16H,6-8,11-14H2,1-3H3,(H,23,24)