1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-phenylmethoxy-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-phenylmethoxy-phenyl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-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-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(4-benzoxy-3-ethoxy-phenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C33H28N2O5S2 MolecularWeight: 596.71582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCC6=CC=CC=C6

InChI

InChI=1S/C33H28N2O5S2/c1-4-39-24-17-22(12-13-23(24)40-18-21-9-6-5-7-10-21)29-27(30(36)25-11-8-14-41-25)31(37)32(38)35(29)33-34-28-20(3)15-19(2)16-26(28)42-33/h5-17,29,37H,4,18H2,1-3H3