1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-isopentyloxy-phenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-isoamoxy-phenyl)-3-hydroxy-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C31H32N2O5S2 MolecularWeight: 576.72618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(C=C(C=C4S3)C)C)O)C(=O)C5=CC=CS5)OCCC(C)C

InChI

InChI=1S/C31H32N2O5S2/c1-6-37-22-16-20(9-10-21(22)38-12-11-17(2)3)27-25(28(34)23-8-7-13-39-23)29(35)30(36)33(27)31-32-26-19(5)14-18(4)15-24(26)40-31/h7-10,13-17,27,35H,6,11-12H2,1-5H3