ethyl 4-acetyloxy-4-[1-(2-nitrophenyl)sulfonyl-2,3-dihydropyrrol-4-yl]pent-2-ynoate

Systemtic Name: ethyl 4-acetyloxy-4-[1-(2-nitrophenyl)sulfonyl-2,3-dihydropyrrol-4-yl]pent-2-ynoate Openeye Name: ethyl 4-acetoxy-4-[1-(2-nitrophenyl)sulfonyl-2,3-dihydropyrrol-4-yl]pent-2-ynoate CAS Name: 4-acetyloxy-4-[1-(2-nitrophenyl)sulfonyl-2,3-dihydropyrrol-4-yl]-2-pentynoic acid ethyl ester IUPAC Name: ethyl 4-acetyloxy-4-[1-(2-nitrophenyl)sulfonyl-2,3-dihydropyrrol-4-yl]pent-2-ynoate Traditional Name: 4-acetoxy-4-[1-(2-nitrophenyl)sulfonyl-2-pyrrolin-3-yl]pent-2-ynoic acid ethyl ester Formula: C19H20N2O8S MolecularWeight: 436.4357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CC(C)(C1=CN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCOC(=O)C#CC(C)(C1=CN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C19H20N2O8S/c1-4-28-18(23)9-11-19(3,29-14(2)22)15-10-12-20(13-15)30(26,27)17-8-6-5-7-16(17)21(24)25/h5-8,13H,4,10,12H2,1-3H3