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

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O4S/c1-3-4-11-31-24-13-17(9-10-23(24)30-2)12-19(15-27)25-28-21(16-33-25)20-14-18-7-5-6-8-22(18)32-26(20)29/h5-10,12-14,16H,3-4,11H2,1-2H3/b19-12+