1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-amoxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C31H32N2O5S2 MolecularWeight: 576.72618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC

InChI

InChI=1S/C31H32N2O5S2/c1-5-7-8-13-38-21-12-11-20(17-22(21)37-6-2)27-25(28(34)23-10-9-14-39-23)29(35)30(36)33(27)31-32-26-19(4)15-18(3)16-24(26)40-31/h9-12,14-17,27,35H,5-8,13H2,1-4H3