(2E)-2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]ethanenitrile

Systemtic Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[2-(4-methoxyphenyl)-6-oxidanyl-chromen-4-ylidene]ethanenitrile Openeye Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]acetonitrile CAS Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]acetonitrile IUPAC Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]acetonitrile Traditional Name: (2E)-2-(1,3-benzothiazol-2-yl)-2-[6-hydroxy-2-(4-methoxyphenyl)chromen-4-ylidene]acetonitrile Formula: C25H16N2O3S MolecularWeight: 424.47114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=C(C#N)C3=NC4=CC=CC=C4S3)C5=C(O2)C=CC(=C5)O

Isomeric SMILES

COC1=CC=C(C=C1)C2=C/C(=C(/C#N)\C3=NC4=CC=CC=C4S3)/C5=C(O2)C=CC(=C5)O

InChI

InChI=1S/C25H16N2O3S/c1-29-17-9-6-15(7-10-17)23-13-18(19-12-16(28)8-11-22(19)30-23)20(14-26)25-27-21-4-2-3-5-24(21)31-25/h2-13,28H,1H3/b20-18+