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

Systemtic Name: (2S)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one Openeye Name: (2S)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-(3-pyridyl)-2H-pyrrol-5-one CAS Name: (2S)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(3-pyridinyl)-2H-pyrrol-5-one IUPAC Name: (2S)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2-pyridin-3-yl-2H-pyrrol-5-one Traditional Name: (5S)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-5-(3-pyridyl)-3-pyrrolin-2-one Formula: C25H16ClN3O3S MolecularWeight: 473.93084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)C2=C(C(=O)N(C2C3=CN=CC=C3)C4=NC5=C(S4)C=C(C=C5)Cl)O

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)N([C@H]2C3=CN=CC=C3)C4=NC5=C(S4)C=C(C=C5)Cl)O

InChI

InChI=1S/C25H16ClN3O3S/c26-17-9-10-18-20(13-17)33-25(28-18)29-22(16-7-4-12-27-14-16)21(23(31)24(29)32)19(30)11-8-15-5-2-1-3-6-15/h1-14,22,31H/b11-8+/t22-/m0/s1