(E)-3-(4-octoxyphenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: (E)-3-(4-octoxyphenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-octoxyphenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-octoxyphenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-octoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]-3-(4-octoxyphenyl)acrylonitrile Formula: C29H28N2O3S MolecularWeight: 484.60922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C29H28N2O3S/c1-2-3-4-5-6-9-16-33-24-14-12-21(13-15-24)17-23(19-30)28-31-26(20-35-28)25-18-22-10-7-8-11-27(22)34-29(25)32/h7-8,10-15,17-18,20H,2-6,9,16H2,1H3/b23-17+