[2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-oxo-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-[[(1S)-1-(2-thienyl)ethyl]amino]ethyl] ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NC(C)C2=CC=CS2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)N[C@@H](C)C2=CC=CS2)Cl)C

InChI

InChI=1S/C16H17ClN2O3S/c1-9-7-10(2)18-15(17)14(9)16(21)22-8-13(20)19-11(3)12-5-4-6-23-12/h4-7,11H,8H2,1-3H3,(H,19,20)/t11-/m0/s1