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

Systemtic Name: 2-(4-butoxy-3-ethoxy-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-(4-butoxy-3-ethoxy-phenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(4-butoxy-3-ethoxyphenyl)-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-(4-butoxy-3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(4-butoxy-3-ethoxy-phenyl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C30H29N3O5S3 MolecularWeight: 607.76336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C30H29N3O5S3/c1-3-5-15-38-21-14-13-20(17-22(21)37-4-2)25-24(26(34)23-12-9-16-39-23)27(35)28(36)33(25)29-31-32-30(41-29)40-18-19-10-7-6-8-11-19/h6-14,16-17,25,35H,3-5,15,18H2,1-2H3