N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-ethylsulfonyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-5-chloranyl-2-ethylsulfonyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-ethylsulfonyl-N-(2-furylmethyl)pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[(3S)-1,1-dioxo-3-thiolanyl]-2-ethylsulfonyl-N-(2-furanylmethyl)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]-2-ethylsulfonyl-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[(3S)-1,1-diketothiolan-3-yl]-2-esyl-N-(2-furfuryl)pyrimidine-4-carboxamide Formula: C16H18ClN3O6S2 MolecularWeight: 447.91362

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=CO2)C3CCS(=O)(=O)C3)Cl

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)N(CC2=CC=CO2)[C@H]3CCS(=O)(=O)C3)Cl

InChI

InChI=1S/C16H18ClN3O6S2/c1-2-28(24,25)16-18-8-13(17)14(19-16)15(21)20(9-12-4-3-6-26-12)11-5-7-27(22,23)10-11/h3-4,6,8,11H,2,5,7,9-10H2,1H3/t11-/m0/s1