(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C21H26N2O4S/c1-15-11-17(27-23-15)13-26-21(25)18-9-5-6-10-19(18)28-14-20(24)22-12-16-7-3-2-4-8-16/h5-6,9-11,16H,2-4,7-8,12-14H2,1H3,(H,22,24)