[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-keto-2-[[(1S,2S)-2-methylcyclohexyl]amino]ethyl] ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC(=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-14-6-2-3-9-17(14)23-19(24)13-27-21(26)15-7-4-8-16(12-15)22-20(25)18-10-5-11-28-18/h4-5,7-8,10-12,14,17H,2-3,6,9,13H2,1H3,(H,22,25)(H,23,24)/t14-,17-/m0/s1