[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-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-4-carboxylate Traditional Name: isonicotinic 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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O5S/c21-17(12-25-18(22)14-6-9-19-10-7-14)20(15-4-2-1-3-5-15)16-8-11-26(23,24)13-16/h6-7,9-10,15-16H,1-5,8,11-13H2/t16-/m0/s1