ethyl 1-[6-[[1,1-bis(oxidanylidene)-1-benzothiophen-6-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[6-[[1,1-bis(oxidanylidene)-1-benzothiophen-6-yl]amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[6-[(1,1-dioxobenzothiophen-6-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[6-[(1,1-dioxo-1-benzothiophen-6-yl)amino]-5-nitro-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(1,1-dioxo-1-benzothiophen-6-yl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[6-[(1,1-diketobenzothiophen-6-yl)amino]-5-nitro-pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C20H21N5O6S MolecularWeight: 459.47564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)C=CS4(=O)=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C(=NC=N2)NC3=CC4=C(C=C3)C=CS4(=O)=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S/c1-2-31-20(26)14-5-8-24(9-6-14)19-17(25(27)28)18(21-12-22-19)23-15-4-3-13-7-10-32(29,30)16(13)11-15/h3-4,7,10-12,14H,2,5-6,8-9H2,1H3,(H,21,22,23)