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

Systemtic Name: 3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-pentoxyphenyl)-1-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-2H-pyrrol-5-one Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-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-3-(5-methylfuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one Traditional Name: 5-(3-amoxyphenyl)-1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one Formula: C30H29N3O5S2 MolecularWeight: 575.69836

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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=C(O5)C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NN=C(S3)SCC4=CC=CC=C4)O)C(=O)C5=CC=C(O5)C

InChI

InChI=1S/C30H29N3O5S2/c1-3-4-8-16-37-22-13-9-12-21(17-22)25-24(26(34)23-15-14-19(2)38-23)27(35)28(36)33(25)29-31-32-30(40-29)39-18-20-10-6-5-7-11-20/h5-7,9-15,17,25,35H,3-4,8,16,18H2,1-2H3