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

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-2-(3-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(E)-1-oxo-3-phenylprop-2-enyl]-2-(3-pentoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-4-hydroxy-2-(3-pentoxyphenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 5-(3-amoxyphenyl)-1-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C31H27ClN2O4S MolecularWeight: 559.07508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C31H27ClN2O4S/c1-2-3-7-17-38-23-12-8-11-21(18-23)28-27(25(35)16-13-20-9-5-4-6-10-20)29(36)30(37)34(28)31-33-24-15-14-22(32)19-26(24)39-31/h4-6,8-16,18-19,28,36H,2-3,7,17H2,1H3/b16-13+