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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC(=C(C=C5)OCC6=CC=CC=C6)OC)C

InChI

InChI=1S/C36H30N2O5S/c1-22-18-23(2)32-30(19-22)44-36(37-32)38-33(31(34(40)35(38)41)27(39)16-14-24-10-6-4-7-11-24)26-15-17-28(29(20-26)42-3)43-21-25-12-8-5-9-13-25/h4-20,33,40H,21H2,1-3H3/b16-14+