2-[4-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-phenyl-prop-1-enyl]-2-methoxy-phenoxy]ethanenitrile Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenyl-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile CAS Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenoxy]acetonitrile IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-3-oxo-3-phenylprop-1-enyl]-2-methoxyphenoxy]acetonitrile Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-yl)-3-keto-3-phenyl-prop-1-enyl]-2-methoxy-phenoxy]acetonitrile Formula: C25H18N2O3S MolecularWeight: 426.48702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4)OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4)OCC#N

InChI

InChI=1S/C25H18N2O3S/c1-29-22-16-17(11-12-21(22)30-14-13-26)15-19(24(28)18-7-3-2-4-8-18)25-27-20-9-5-6-10-23(20)31-25/h2-12,15-16H,14H2,1H3