[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)ethanoate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 2-(5-morpholinosulfonyl-2-thienyl)acetate CAS Name: 2-[5-(4-morpholinylsulfonyl)-2-thiophenyl]acetic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetate Traditional Name: 2-(5-morpholinosulfonyl-2-thienyl)acetic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C18H18N2O8S2 MolecularWeight: 454.47412

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=C(S2)CC(=O)OCC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O8S2/c21-16(13-2-1-3-14(10-13)20(23)24)12-28-17(22)11-15-4-5-18(29-15)30(25,26)19-6-8-27-9-7-19/h1-5,10H,6-9,11-12H2