2-butyl-5-(1-ethylindol-3-yl)sulfanyl-6-oxidanyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 2-butyl-5-(1-ethylindol-3-yl)sulfanyl-6-oxidanyl-2-phenyl-3H-pyran-4-one Openeye Name: 2-butyl-5-(1-ethylindol-3-yl)sulfanyl-6-hydroxy-2-phenyl-3H-pyran-4-one CAS Name: 2-butyl-5-[(1-ethyl-3-indolyl)thio]-6-hydroxy-2-phenyl-3H-pyran-4-one IUPAC Name: 2-butyl-5-(1-ethylindol-3-yl)sulfanyl-6-hydroxy-2-phenyl-3H-pyran-4-one Traditional Name: 2-butyl-5-[(1-ethylindol-3-yl)thio]-6-hydroxy-2-phenyl-3H-pyran-4-one Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC(=O)C(=C(O1)O)SC2=CN(C3=CC=CC=C32)CC)C4=CC=CC=C4

Isomeric SMILES

CCCCC1(CC(=O)C(=C(O1)O)SC2=CN(C3=CC=CC=C32)CC)C4=CC=CC=C4

InChI

InChI=1S/C25H27NO3S/c1-3-5-15-25(18-11-7-6-8-12-18)16-21(27)23(24(28)29-25)30-22-17-26(4-2)20-14-10-9-13-19(20)22/h6-14,17,28H,3-5,15-16H2,1-2H3