[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C18H22N2O5S MolecularWeight: 378.44268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5S/c21-17(19-11-10-14-4-2-1-3-5-14)12-25-18(22)13-26-16-8-6-15(7-9-16)20(23)24/h4,6-9H,1-3,5,10-13H2,(H,19,21)