[2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-[[4-(1,1-dimethylpropyl)cyclohexyl]amino]-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-[(4-tert-amylcyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CCC(C)(C)C1CCC(CC1)NC(=O)COC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C21H31NO4S/c1-4-21(2,3)15-7-9-16(10-8-15)22-19(24)14-26-20(25)12-11-17(23)18-6-5-13-27-18/h5-6,13,15-16H,4,7-12,14H2,1-3H3,(H,22,24)