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

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)OCC2=CSC=N2

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=C(C=C1)OCC2=CSC=N2

InChI

InChI=1S/C21H28N2O4S/c1-15(2)5-4-6-16(3)23-20(24)12-27-21(25)17-7-9-19(10-8-17)26-11-18-13-28-14-22-18/h7-10,13-16H,4-6,11-12H2,1-3H3,(H,23,24)