2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C14H19N3O6S MolecularWeight: 357.38216

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)C2CCS(=O)(=O)C2

Isomeric SMILES

CN(CC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[C@H]2CCS(=O)(=O)C2

InChI

InChI=1S/C14H19N3O6S/c1-16(11-5-6-24(21,22)9-11)8-14(18)15-12-7-10(17(19)20)3-4-13(12)23-2/h3-4,7,11H,5-6,8-9H2,1-2H3,(H,15,18)/t11-/m0/s1