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

Systemtic Name: 2-(4-butoxy-3-methoxy-phenyl)-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(4-butoxy-3-methoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 2-(4-butoxy-3-methoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-butoxy-3-methoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-butoxy-3-methoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C31H27ClN2O5S MolecularWeight: 575.07448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H27ClN2O5S/c1-3-4-16-39-24-15-11-20(17-25(24)38-2)28-27(23(35)14-10-19-8-6-5-7-9-19)29(36)30(37)34(28)31-33-22-13-12-21(32)18-26(22)40-31/h5-15,17-18,28,36H,3-4,16H2,1-2H3/b14-10+