[(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OC2CCCCC2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)O[C@H]2CCCCC2=O)C

InChI

InChI=1S/C18H23NO4S/c1-12-7-8-14(13(2)9-12)19-17(21)10-24-11-18(22)23-16-6-4-3-5-15(16)20/h7-9,16H,3-6,10-11H2,1-2H3,(H,19,21)/t16-/m0/s1