[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate Openeye Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 1-methyl-4-nitro-pyrrole-2-carboxylate CAS Name: 1-methyl-4-nitro-2-pyrrolecarboxylic acid [2-[butyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 1-methyl-4-nitropyrrole-2-carboxylate Traditional Name: 1-methyl-4-nitro-pyrrole-2-carboxylic acid [2-[butyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C16H23N3O7S MolecularWeight: 401.43472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C16H23N3O7S/c1-3-4-6-18(12-5-7-27(24,25)11-12)15(20)10-26-16(21)14-8-13(19(22)23)9-17(14)2/h8-9,12H,3-7,10-11H2,1-2H3