(4Z)-2-[4-(4-octylphenyl)phenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one

Systemtic Name: (4Z)-2-[4-(4-octylphenyl)phenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one Openeye Name: (4Z)-2-[4-(4-octylphenyl)phenyl]-4-(2-thienylmethylene)oxazol-5-one CAS Name: (4Z)-2-[4-(4-octylphenyl)phenyl]-4-(thiophen-2-ylmethylidene)-5-oxazolone IUPAC Name: (4Z)-2-[4-(4-octylphenyl)phenyl]-4-(thiophen-2-ylmethylidene)-1,3-oxazol-5-one Traditional Name: (4Z)-2-[4-(4-octylphenyl)phenyl]-4-(2-thenylidene)-2-oxazolin-5-one Formula: C28H29NO2S MolecularWeight: 443.60036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC(=CC4=CC=CS4)C(=O)O3

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=N/C(=C\C4=CC=CS4)/C(=O)O3

InChI

InChI=1S/C28H29NO2S/c1-2-3-4-5-6-7-9-21-11-13-22(14-12-21)23-15-17-24(18-16-23)27-29-26(28(30)31-27)20-25-10-8-19-32-25/h8,10-20H,2-7,9H2,1H3/b26-20-