1-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-phenylmethoxy-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-phenylmethoxy-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 2-(4-benzyloxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-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-phenylmethoxyphenyl)-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-phenylmethoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(4-benzoxy-3-ethoxy-phenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C35H27ClN2O5S MolecularWeight: 623.11728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C=CC5=CC=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)/C=C/C5=CC=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C35H27ClN2O5S/c1-2-42-29-19-24(14-18-28(29)43-21-23-11-7-4-8-12-23)32-31(27(39)17-13-22-9-5-3-6-10-22)33(40)34(41)38(32)35-37-26-16-15-25(36)20-30(26)44-35/h3-20,32,40H,2,21H2,1H3/b17-13+