2-(3-ethoxy-4-phenylmethoxy-phenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Systemtic Name: 2-(3-ethoxy-4-phenylmethoxy-phenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-ethoxy-4-phenylmethoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-benzoxy-3-ethoxy-phenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C36H30N2O5S MolecularWeight: 602.6988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C=CC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)/C=C/C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C36H30N2O5S/c1-3-42-30-21-26(16-19-29(30)43-22-25-12-8-5-9-13-25)33-32(28(39)18-15-24-10-6-4-7-11-24)34(40)35(41)38(33)36-37-27-17-14-23(2)20-31(27)44-36/h4-21,33,40H,3,22H2,1-2H3/b18-15+