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

Systemtic Name: 2-(3-butoxyphenyl)-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-butoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(3-butoxyphenyl)-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-butoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-5-(3-butoxyphenyl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C28H25N3O4S3 MolecularWeight: 563.7108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4S3/c1-2-3-14-35-20-12-7-11-19(16-20)23-22(24(32)21-13-8-15-36-21)25(33)26(34)31(23)27-29-30-28(38-27)37-17-18-9-5-4-6-10-18/h4-13,15-16,23,33H,2-3,14,17H2,1H3