(E)-1-(2-azanyl-3,5-dimethyl-4-oxidanyl-phenyl)-4-thiophen-2-yl-but-2-en-1-one

Systemtic Name: (E)-1-(2-azanyl-3,5-dimethyl-4-oxidanyl-phenyl)-4-thiophen-2-yl-but-2-en-1-one Openeye Name: (E)-1-(2-amino-4-hydroxy-3,5-dimethyl-phenyl)-4-(2-thienyl)but-2-en-1-one CAS Name: (E)-1-(2-amino-4-hydroxy-3,5-dimethylphenyl)-4-thiophen-2-yl-2-buten-1-one IUPAC Name: (E)-1-(2-amino-4-hydroxy-3,5-dimethylphenyl)-4-thiophen-2-ylbut-2-en-1-one Traditional Name: (E)-1-(2-amino-4-hydroxy-3,5-dimethyl-phenyl)-4-(2-thienyl)but-2-en-1-one Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C=CCC2=CC=CS2)N)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)/C=C/CC2=CC=CS2)N)C)O

InChI

InChI=1S/C16H17NO2S/c1-10-9-13(15(17)11(2)16(10)19)14(18)7-3-5-12-6-4-8-20-12/h3-4,6-9,19H,5,17H2,1-2H3/b7-3+