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

Systemtic Name: 4-oxidanyl-2-(3-pentoxyphenyl)-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)-4-hydroxy-2-(3-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2-(3-pentoxyphenyl)-1-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-2-(3-pentoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-amoxyphenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C29H27N3O4S3 MolecularWeight: 577.73738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O4S3/c1-2-3-7-15-36-21-13-8-12-20(17-21)24-23(25(33)22-14-9-16-37-22)26(34)27(35)32(24)28-30-31-29(39-28)38-18-19-10-5-4-6-11-19/h4-6,8-14,16-17,24,34H,2-3,7,15,18H2,1H3