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

Systemtic Name: 2-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-bromophenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C28H21BrN2O3S MolecularWeight: 545.44694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)C=CC4=CC=CC=C4)C5=CC(=CC=C5)Br)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3C(C(=C(C3=O)O)C(=O)/C=C/C4=CC=CC=C4)C5=CC(=CC=C5)Br)C

InChI

InChI=1S/C28H21BrN2O3S/c1-16-13-17(2)24-22(14-16)35-28(30-24)31-25(19-9-6-10-20(29)15-19)23(26(33)27(31)34)21(32)12-11-18-7-4-3-5-8-18/h3-15,25,33H,1-2H3/b12-11+