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

Systemtic Name: 2-(4-butoxyphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(4-butoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(4-butoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-butoxyphenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N2O4S/c1-3-4-18-37-23-14-12-22(13-15-23)28-27(25(34)17-11-21-8-6-5-7-9-21)29(35)30(36)33(28)31-32-24-16-10-20(2)19-26(24)38-31/h5-17,19,28,35H,3-4,18H2,1-2H3/b17-11+