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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-cyclopentyl-amino]-2-oxidanylidene-ethyl] 1-methylpyrazole-4-carboxylate Openeye Name: [2-[cyclopentyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 1-methylpyrazole-4-carboxylate CAS Name: 1-methyl-4-pyrazolecarboxylic 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] 1-methylpyrazole-4-carboxylate Traditional Name: 1-methylpyrazole-4-carboxylic acid [2-[cyclopentyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C(=O)OCC(=O)N(C2CCCC2)C3CCS(=O)(=O)C3

Isomeric SMILES

CN1C=C(C=N1)C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCC3

InChI

InChI=1S/C16H23N3O5S/c1-18-9-12(8-17-18)16(21)24-10-15(20)19(13-4-2-3-5-13)14-6-7-25(22,23)11-14/h8-9,13-14H,2-7,10-11H2,1H3/t14-/m0/s1