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

Systemtic Name: 2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-bromo-4-hydroxy-5-methoxyphenyl)-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-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C28H21BrN2O5S MolecularWeight: 577.44574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC(=C(C(=C5)Br)O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC(=C(C(=C5)Br)O)OC

InChI

InChI=1S/C28H21BrN2O5S/c1-15-8-10-19-22(12-15)37-28(30-19)31-24(17-13-18(29)25(33)21(14-17)36-2)23(26(34)27(31)35)20(32)11-9-16-6-4-3-5-7-16/h3-14,24,33-34H,1-2H3/b11-9+