2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(3-ethoxy-4-isopentyloxy-phenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-ethoxy-4-isoamoxy-phenyl)-1-(6-fluoro-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H27FN2O5S2 MolecularWeight: 566.663483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)F)O)C(=O)C5=CC=CS5)OCCC(C)C

InChI

InChI=1S/C29H27FN2O5S2/c1-4-36-21-14-17(7-10-20(21)37-12-11-16(2)3)25-24(26(33)22-6-5-13-38-22)27(34)28(35)32(25)29-31-19-9-8-18(30)15-23(19)39-29/h5-10,13-16,25,34H,4,11-12H2,1-3H3