[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O6S/c1-11-3-2-6-19(8-11)15(21)9-26-16(22)10-27-14-5-4-12(17(18)23)7-13(14)20(24)25/h4-5,7,11H,2-3,6,8-10H2,1H3,(H2,18,23)/t11-/m0/s1