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

Systemtic Name: 2-(4-butoxyphenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-butoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C26H21ClN2O4S2 MolecularWeight: 525.03894

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=CS5

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=CS5

InChI

InChI=1S/C26H21ClN2O4S2/c1-2-3-12-33-17-9-6-15(7-10-17)22-21(23(30)19-5-4-13-34-19)24(31)25(32)29(22)26-28-18-11-8-16(27)14-20(18)35-26/h4-11,13-14,22,31H,2-3,12H2,1H3