1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-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-(4-ethoxy-3-methoxy-phenyl)-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-ethoxy-3-methoxy-phenyl)-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-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxyphenyl)-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-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C=CC5=CC=CC=C5)OC

Isomeric SMILES

CCOC1=C(C=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)OC

InChI

InChI=1S/C31H28N2O5S/c1-5-38-23-14-12-21(17-24(23)37-4)28-26(22(34)13-11-20-9-7-6-8-10-20)29(35)30(36)33(28)31-32-27-19(3)15-18(2)16-25(27)39-31/h6-17,28,35H,5H2,1-4H3/b13-11+