[2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[[[[(1S,2S)-2-methylcyclohexyl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]carbamoylamino]ethyl] ester Formula: C20H26N2O5S MolecularWeight: 406.49584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C

InChI

InChI=1S/C20H26N2O5S/c1-13-7-3-5-9-16(13)21-20(26)22-18(24)11-27-19(25)15-8-4-6-10-17(15)28-12-14(2)23/h4,6,8,10,13,16H,3,5,7,9,11-12H2,1-2H3,(H2,21,22,24,26)/t13-,16-/m0/s1