[1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [2-(cyclohexylamino)-1-methyl-2-oxo-ethyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [1-(cyclohexylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [2-(cyclohexylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)OC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCCC1)OC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-11(18(24)20-13-5-3-2-4-6-13)27-16(22)10-28-15-8-7-12(17(19)23)9-14(15)21(25)26/h7-9,11,13H,2-6,10H2,1H3,(H2,19,23)(H,20,24)