[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-1-cyclopentanecarboxylic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C21H30N2O4S MolecularWeight: 406.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C21H30N2O4S/c1-20(2,3)23-17(24)13-21(11-7-8-12-21)19(26)27-14-18(25)22-15-9-5-6-10-16(15)28-4/h5-6,9-10H,7-8,11-14H2,1-4H3,(H,22,25)(H,23,24)