1-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 1-(6-chloranyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propoxy-phenyl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propoxy-phenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propoxyphenyl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-propoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-propoxy-phenyl)-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one Formula: C28H25ClN2O6S MolecularWeight: 553.0259

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=C(O5)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)Cl)O)C(=O)C5=CC=C(O5)C)OCC

InChI

InChI=1S/C28H25ClN2O6S/c1-4-12-36-19-11-7-16(13-21(19)35-5-2)24-23(25(32)20-10-6-15(3)37-20)26(33)27(34)31(24)28-30-18-9-8-17(29)14-22(18)38-28/h6-11,13-14,24,33H,4-5,12H2,1-3H3