2-(3,4-diethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 2-(3,4-diethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(3,4-diethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxybenzofuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3,4-diethoxyphenyl)-1-[5-[(2-fluorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 2-(3,4-diethoxyphenyl)-1-[5-[(2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-hydroxy-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3,4-diethoxyphenyl)-1-[5-[(2-fluorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(7-methoxybenzofuran-2-carbonyl)-3-pyrrolin-2-one Formula: C33H28FN3O7S2 MolecularWeight: 661.719723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4F)O)C(=O)C5=CC6=C(O5)C(=CC=C6)OC)OCC

InChI

InChI=1S/C33H28FN3O7S2/c1-4-42-22-14-13-18(15-24(22)43-5-2)27-26(28(38)25-16-19-10-8-12-23(41-3)30(19)44-25)29(39)31(40)37(27)32-35-36-33(46-32)45-17-20-9-6-7-11-21(20)34/h6-16,27,39H,4-5,17H2,1-3H3