2-(3-ethoxy-4-pentoxy-phenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 2-(3-ethoxy-4-pentoxy-phenyl)-4-oxidanyl-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-amoxy-3-ethoxy-phenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C31H31N3O5S3 MolecularWeight: 621.78994

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=CS5)OCC

InChI

InChI=1S/C31H31N3O5S3/c1-3-5-9-16-39-22-15-14-21(18-23(22)38-4-2)26-25(27(35)24-13-10-17-40-24)28(36)29(37)34(26)30-32-33-31(42-30)41-19-20-11-7-6-8-12-20/h6-8,10-15,17-18,26,36H,3-5,9,16,19H2,1-2H3