[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate

Systemtic Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxidanylidene-ethyl] 3-methylthiophene-2-carboxylate Openeye Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxo-ethyl] 3-methylthiophene-2-carboxylate CAS Name: 3-methyl-2-thiophenecarboxylic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate Traditional Name: 3-methylthiophene-2-carboxylic acid [2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-keto-ethyl] ester Formula: C16H23NO3S MolecularWeight: 309.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)COC(=O)C2=C(C=CS2)C

Isomeric SMILES

C[C@@H]1CCC[C@@H]([C@H]1C)NC(=O)COC(=O)C2=C(C=CS2)C

InChI

InChI=1S/C16H23NO3S/c1-10-5-4-6-13(12(10)3)17-14(18)9-20-16(19)15-11(2)7-8-21-15/h7-8,10,12-13H,4-6,9H2,1-3H3,(H,17,18)/t10-,12+,13+/m1/s1