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

Systemtic Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1-(6-methyl-1,3-benzothiazol-2-yl)-4-oxidanyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 2-(3-ethoxy-4-isopentyloxy-phenyl)-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-5-one IUPAC Name: 2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 5-(3-ethoxy-4-isoamoxy-phenyl)-3-hydroxy-1-(6-methyl-1,3-benzothiazol-2-yl)-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C30H30N2O5S2 MolecularWeight: 562.6996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C5=CC=CS5)OCCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(C(=O)N2C3=NC4=C(S3)C=C(C=C4)C)O)C(=O)C5=CC=CS5)OCCC(C)C

InChI

InChI=1S/C30H30N2O5S2/c1-5-36-22-16-19(9-11-21(22)37-13-12-17(2)3)26-25(27(33)23-7-6-14-38-23)28(34)29(35)32(26)30-31-20-10-8-18(4)15-24(20)39-30/h6-11,14-17,26,34H,5,12-13H2,1-4H3