ethyl (3S)-1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate CAS Name: (3S)-1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[[5-(3-nitrophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[[5-(3-nitrophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]nipecotic acid ethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)CN2C(=S)OC(=N2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O5S/c1-2-25-16(22)13-6-4-8-19(10-13)11-20-17(27)26-15(18-20)12-5-3-7-14(9-12)21(23)24/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3/t13-/m0/s1