2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-1-phenethyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one

Systemtic Name: 2-[3-(3-methylbutoxy)phenyl]-4-oxidanyl-1-phenethyl-3-thiophen-2-ylcarbonyl-2H-pyrrol-5-one Openeye Name: 4-hydroxy-2-(3-isopentyloxyphenyl)-1-phenethyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-3-[oxo(thiophen-2-yl)methyl]-1-phenethyl-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-2-[3-(3-methylbutoxy)phenyl]-1-phenethyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-5-(3-isoamoxyphenyl)-1-phenethyl-4-(2-thenoyl)-3-pyrrolin-2-one Formula: C28H29NO4S MolecularWeight: 475.59916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)CCOC1=CC=CC(=C1)C2C(=C(C(=O)N2CCC3=CC=CC=C3)O)C(=O)C4=CC=CS4

InChI

InChI=1S/C28H29NO4S/c1-19(2)14-16-33-22-11-6-10-21(18-22)25-24(26(30)23-12-7-17-34-23)27(31)28(32)29(25)15-13-20-8-4-3-5-9-20/h3-12,17-19,25,31H,13-16H2,1-2H3