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

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxy-phenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2H-pyrrol-5-one IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-pentoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-amoxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C33H31ClN2O5S MolecularWeight: 603.12764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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)OCC

Isomeric SMILES

CCCCCOC1=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)OCC

InChI

InChI=1S/C33H31ClN2O5S/c1-3-5-9-18-41-26-17-13-22(19-27(26)40-4-2)30-29(25(37)16-12-21-10-7-6-8-11-21)31(38)32(39)36(30)33-35-24-15-14-23(34)20-28(24)42-33/h6-8,10-17,19-20,30,38H,3-5,9,18H2,1-2H3/b16-12+