1-[3-[(2-methyl-4-oxidanyl-phenyl)amino]thieno[3,2-b]pyridin-2-yl]butan-1-one

Systemtic Name: 1-[3-[(2-methyl-4-oxidanyl-phenyl)amino]thieno[3,2-b]pyridin-2-yl]butan-1-one Openeye Name: 1-[3-(4-hydroxy-2-methyl-anilino)thieno[3,2-b]pyridin-2-yl]butan-1-one CAS Name: 1-[3-(4-hydroxy-2-methylanilino)-2-thieno[3,2-b]pyridinyl]-1-butanone IUPAC Name: 1-[3-(4-hydroxy-2-methylanilino)thieno[3,2-b]pyridin-2-yl]butan-1-one Traditional Name: 1-[3-(4-hydroxy-2-methyl-anilino)thieno[3,2-b]pyridin-2-yl]butan-1-one Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C2=C(S1)C=CC=N2)NC3=C(C=C(C=C3)O)C

Isomeric SMILES

CCCC(=O)C1=C(C2=C(S1)C=CC=N2)NC3=C(C=C(C=C3)O)C

InChI

InChI=1S/C18H18N2O2S/c1-3-5-14(22)18-17(16-15(23-18)6-4-9-19-16)20-13-8-7-12(21)10-11(13)2/h4,6-10,20-21H,3,5H2,1-2H3