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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[cyclopentyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CN=CC=C3

Isomeric SMILES

C1CCC(C1)N([C@H]2CCS(=O)(=O)C2)C(=O)COC(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H22N2O5S/c20-16(11-24-17(21)13-4-3-8-18-10-13)19(14-5-1-2-6-14)15-7-9-25(22,23)12-15/h3-4,8,10,14-15H,1-2,5-7,9,11-12H2/t15-/m0/s1