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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(4-butoxyphenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-butoxyphenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-butoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(4-butoxyphenyl)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C25H20N2O3S/c1-2-3-12-29-20-10-8-17(9-11-20)13-19(15-26)24-27-22(16-31-24)21-14-18-6-4-5-7-23(18)30-25(21)28/h4-11,13-14,16H,2-3,12H2,1H3/b19-13+