2-(3-butoxyphenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 2-(3-butoxyphenyl)-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(3-butoxyphenyl)-4-hydroxy-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3-butoxyphenyl)-4-hydroxy-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-butoxyphenyl)-4-hydroxy-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-butoxyphenyl)-3-hydroxy-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H27N3O4S3 MolecularWeight: 577.73738

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)C)O)C(=O)C5=CC=CS5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=C(C=C4)C)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H27N3O4S3/c1-3-4-14-36-21-8-5-7-20(16-21)24-23(25(33)22-9-6-15-37-22)26(34)27(35)32(24)28-30-31-29(39-28)38-17-19-12-10-18(2)11-13-19/h5-13,15-16,24,34H,3-4,14,17H2,1-2H3