[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CSC1=CC=C(C=C1)[N+](=O)[O-])C2(CCCCC2)C#N

InChI

InChI=1S/C18H21N3O5S/c1-20(18(13-19)9-3-2-4-10-18)16(22)11-26-17(23)12-27-15-7-5-14(6-8-15)21(24)25/h5-8H,2-4,9-12H2,1H3