phenacyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: phenacyl 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenacyl 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid phenacyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27NO4S/c26-21(19-11-5-2-6-12-19)16-29-24(28)20-13-7-8-14-22(20)30-17-23(27)25-15-18-9-3-1-4-10-18/h2,5-8,11-14,18H,1,3-4,9-10,15-17H2,(H,25,27)