[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] pyridine-2-carboxylate Openeye Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [2-[cyclohexyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [2-[cyclohexyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC=CC=N3

Isomeric SMILES

C1CCC(CC1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H24N2O5S/c21-17(12-25-18(22)16-8-4-5-10-19-16)20(14-6-2-1-3-7-14)15-9-11-26(23,24)13-15/h4-5,8,10,14-15H,1-3,6-7,9,11-13H2/t15-/m0/s1