ethyl (E)-7-[4-(4-fluorophenyl)-2-propan-2-yl-1-thiophen-2-ylsulfonyl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate

Systemtic Name: ethyl (E)-7-[4-(4-fluorophenyl)-2-propan-2-yl-1-thiophen-2-ylsulfonyl-pyrrol-3-yl]-5-oxidanyl-3-oxidanylidene-hept-6-enoate Openeye Name: ethyl (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-(2-thienylsulfonyl)pyrrol-3-yl]-5-hydroxy-3-oxo-hept-6-enoate CAS Name: (E)-7-[4-(4-fluorophenyl)-2-propan-2-yl-1-thiophen-2-ylsulfonyl-3-pyrrolyl]-5-hydroxy-3-oxo-6-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[4-(4-fluorophenyl)-2-propan-2-yl-1-thiophen-2-ylsulfonylpyrrol-3-yl]-5-hydroxy-3-oxohept-6-enoate Traditional Name: (E)-7-[4-(4-fluorophenyl)-2-isopropyl-1-(2-thienylsulfonyl)pyrrol-3-yl]-5-hydroxy-3-keto-hept-6-enoic acid ethyl ester Formula: C26H28FNO6S2 MolecularWeight: 533.632023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CC(C=CC1=C(N(C=C1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C(C)C)O

Isomeric SMILES

CCOC(=O)CC(=O)CC(/C=C/C1=C(N(C=C1C2=CC=C(C=C2)F)S(=O)(=O)C3=CC=CS3)C(C)C)O

InChI

InChI=1S/C26H28FNO6S2/c1-4-34-24(31)15-21(30)14-20(29)11-12-22-23(18-7-9-19(27)10-8-18)16-28(26(22)17(2)3)36(32,33)25-6-5-13-35-25/h5-13,16-17,20,29H,4,14-15H2,1-3H3/b12-11+