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

Systemtic Name: 2-(3-butoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(3-butoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-butoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-butoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-butoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C32H30N2O5S MolecularWeight: 554.656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OCC)O)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)OCC)O)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H30N2O5S/c1-3-5-18-39-23-13-9-12-22(19-23)29-28(26(35)17-14-21-10-7-6-8-11-21)30(36)31(37)34(29)32-33-25-16-15-24(38-4-2)20-27(25)40-32/h6-17,19-20,29,36H,3-5,18H2,1-2H3/b17-14+