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

Systemtic Name: 1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-oxidanyl-2-(3-propoxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 4-hydroxy-2-(3-propoxyphenyl)-1-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-1-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-[oxo(thiophen-2-yl)methyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-1-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-1-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]-5-(3-propoxyphenyl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C28H25N3O4S3 MolecularWeight: 563.7108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C28H25N3O4S3/c1-3-13-35-20-7-4-6-19(15-20)23-22(24(32)21-8-5-14-36-21)25(33)26(34)31(23)27-29-30-28(38-27)37-16-18-11-9-17(2)10-12-18/h4-12,14-15,23,33H,3,13,16H2,1-2H3