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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C17H19N3O5S MolecularWeight: 377.41486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c18-12-17(8-4-1-5-9-17)19-15(21)10-25-16(22)11-26-14-7-3-2-6-13(14)20(23)24/h2-3,6-7H,1,4-5,8-11H2,(H,19,21)