[2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxidanylidene-ethyl] 2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxo-ethyl] 2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]benzoic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-ethyl] ester Formula: C26H32N2O5S MolecularWeight: 484.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3CCCCC3

InChI

InChI=1S/C26H32N2O5S/c1-16-24(18(3)29)17(2)28-25(16)21(30)14-33-26(32)20-11-7-8-12-22(20)34-15-23(31)27-13-19-9-5-4-6-10-19/h7-8,11-12,19,28H,4-6,9-10,13-15H2,1-3H3,(H,27,31)