[2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylcarbonylhydrazinyl)ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazino]ethyl] 4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]hydrazo]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl] 4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3S)-3-methylpiperidino]-3-nitro-benzoic acid [2-keto-2-[N'-(2-thenoyl)hydrazino]ethyl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O6S/c1-13-4-2-8-23(11-13)15-7-6-14(10-16(15)24(28)29)20(27)30-12-18(25)21-22-19(26)17-5-3-9-31-17/h3,5-7,9-10,13H,2,4,8,11-12H2,1H3,(H,21,25)(H,22,26)/t13-/m0/s1