(2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: (2-ethoxycarbonyl-4-fluoranyl-1-benzothiophen-3-yl)methyl 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: (2-ethoxycarbonyl-4-fluoro-benzothiophen-3-yl)methyl 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl ester IUPAC Name: (2-ethoxycarbonyl-4-fluoro-1-benzothiophen-3-yl)methyl 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid (2-carbethoxy-4-fluoro-benzothiophen-3-yl)methyl ester Formula: C20H18FNO5S MolecularWeight: 403.424023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3C)C(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)COC(=O)C3=CC(=CN3C)C(=O)C

InChI

InChI=1S/C20H18FNO5S/c1-4-26-20(25)18-13(17-14(21)6-5-7-16(17)28-18)10-27-19(24)15-8-12(11(2)23)9-22(15)3/h5-9H,4,10H2,1-3H3