2-[(2,3-dimethylpyrrol-1-yl)methyl]-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-[(2,3-dimethylpyrrol-1-yl)methyl]-6-oxidanyl-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Openeye Name: 2-[(2,3-dimethylpyrrol-1-yl)methyl]-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one CAS Name: 2-[(2,3-dimethyl-1-pyrrolyl)methyl]-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one IUPAC Name: 2-[(2,3-dimethylpyrrol-1-yl)methyl]-6-hydroxy-5-phenethylsulfanyl-2-phenyl-3H-pyran-4-one Traditional Name: 2-[(2,3-dimethylpyrrol-1-yl)methyl]-6-hydroxy-5-(phenethylthio)-2-phenyl-3H-pyran-4-one Formula: C26H27NO3S MolecularWeight: 433.56248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C=C1)CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(N(C=C1)CC2(CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C26H27NO3S/c1-19-13-15-27(20(19)2)18-26(22-11-7-4-8-12-22)17-23(28)24(25(29)30-26)31-16-14-21-9-5-3-6-10-21/h3-13,15,29H,14,16-18H2,1-2H3