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

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-phenyl)-4-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-phenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)-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-(4-ethoxy-3-methoxyphenyl)-4-hydroxy-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one Traditional Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-5-(4-ethoxy-3-methoxy-phenyl)-3-hydroxy-4-[(E)-3-phenylacryloyl]-3-pyrrolin-2-one Formula: C29H23ClN2O5S MolecularWeight: 547.02132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H23ClN2O5S/c1-3-37-22-14-10-18(15-23(22)36-2)26-25(21(33)13-9-17-7-5-4-6-8-17)27(34)28(35)32(26)29-31-20-12-11-19(30)16-24(20)38-29/h4-16,26,34H,3H2,1-2H3/b13-9+