2-(4-butoxyphenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 2-(4-butoxyphenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one Formula: C27H23ClN2O5S MolecularWeight: 522.99992

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=C(O5)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=C(O5)C

InChI

InChI=1S/C27H23ClN2O5S/c1-3-4-13-34-18-9-6-16(7-10-18)23-22(24(31)20-12-5-15(2)35-20)25(32)26(33)30(23)27-29-19-11-8-17(28)14-21(19)36-27/h5-12,14,23,32H,3-4,13H2,1-2H3