3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(3-butylsulfanyl-4-methoxy-phenyl)oxan-2-one

Systemtic Name: 3-[(3-azanyl-4-oxidanyl-phenyl)methyl]-5-(3-butylsulfanyl-4-methoxy-phenyl)oxan-2-one Openeye Name: 3-[(3-amino-4-hydroxy-phenyl)methyl]-5-(3-butylsulfanyl-4-methoxy-phenyl)tetrahydropyran-2-one CAS Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-[3-(butylthio)-4-methoxyphenyl]-2-oxanone IUPAC Name: 3-[(3-amino-4-hydroxyphenyl)methyl]-5-(3-butylsulfanyl-4-methoxyphenyl)oxan-2-one Traditional Name: 3-(3-amino-4-hydroxy-benzyl)-5-[3-(butylthio)-4-methoxy-phenyl]tetrahydropyran-2-one Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)OC

Isomeric SMILES

CCCCSC1=C(C=CC(=C1)C2CC(C(=O)OC2)CC3=CC(=C(C=C3)O)N)OC

InChI

InChI=1S/C23H29NO4S/c1-3-4-9-29-22-13-16(6-8-21(22)27-2)18-12-17(23(26)28-14-18)10-15-5-7-20(25)19(24)11-15/h5-8,11,13,17-18,25H,3-4,9-10,12,14,24H2,1-2H3