1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-pentoxyphenyl)-2H-pyrrol-5-one

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(5-methylfuran-2-yl)carbonyl-4-oxidanyl-2-(3-pentoxyphenyl)-2H-pyrrol-5-one Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-[(5-methyl-2-furanyl)-oxomethyl]-2-(3-pentoxyphenyl)-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-2-(3-pentoxyphenyl)-2H-pyrrol-5-one Traditional Name: 5-(3-amoxyphenyl)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-hydroxy-4-(5-methyl-2-furoyl)-3-pyrrolin-2-one Formula: C30H30N2O5S MolecularWeight: 530.6346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=C(O5)C

Isomeric SMILES

CCCCCOC1=CC=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=C(O5)C

InChI

InChI=1S/C30H30N2O5S/c1-5-6-7-13-36-21-10-8-9-20(16-21)26-24(27(33)22-12-11-19(4)37-22)28(34)29(35)32(26)30-31-25-18(3)14-17(2)15-23(25)38-30/h8-12,14-16,26,34H,5-7,13H2,1-4H3