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

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-hexoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(4-hexoxyphenyl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C34H34N2O4S MolecularWeight: 566.70976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C34H34N2O4S/c1-4-5-6-10-19-40-26-16-14-25(15-17-26)31-29(27(37)18-13-24-11-8-7-9-12-24)32(38)33(39)36(31)34-35-30-23(3)20-22(2)21-28(30)41-34/h7-9,11-18,20-21,31,38H,4-6,10,19H2,1-3H3/b18-13+