(E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-2-(1,3-benzoxazol-2-yl)-1-(4-butoxyphenyl)-3-(3-methyl-2-thienyl)prop-2-en-1-one Formula: C25H23NO3S MolecularWeight: 417.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(=CC2=C(C=CS2)C)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)/C(=C/C2=C(C=CS2)C)/C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H23NO3S/c1-3-4-14-28-19-11-9-18(10-12-19)24(27)20(16-23-17(2)13-15-30-23)25-26-21-7-5-6-8-22(21)29-25/h5-13,15-16H,3-4,14H2,1-2H3/b20-16-