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

Systemtic Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one Openeye Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one CAS Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(3-propoxyphenyl)-2H-pyrrol-5-one Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-5-(3-propoxyphenyl)-3-pyrrolin-2-one Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=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

CCCOC1=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/C31H28N2O5S/c1-3-17-38-22-12-8-11-21(18-22)28-27(25(34)16-13-20-9-6-5-7-10-20)29(35)30(36)33(28)31-32-24-15-14-23(37-4-2)19-26(24)39-31/h5-16,18-19,28,35H,3-4,17H2,1-2H3/b16-13+