ethyl (3S)-1-[2-(2,4-dimethylphenyl)sulfanylethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(2,4-dimethylphenyl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: (3S)-1-[2-[(2,4-dimethylphenyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2,4-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[2-[(2,4-dimethylphenyl)thio]acetyl]nipecotic acid ethyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=C(C=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=C(C=C(C=C2)C)C

InChI

InChI=1S/C18H25NO3S/c1-4-22-18(21)15-6-5-9-19(11-15)17(20)12-23-16-8-7-13(2)10-14(16)3/h7-8,10,15H,4-6,9,11-12H2,1-3H3/t15-/m0/s1