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

Systemtic Name: (E)-3-(4-methoxy-3-phenylmethoxy-phenyl)-2-[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-benzyloxy-4-methoxy-phenyl)-2-[4-(2-oxochromen-3-yl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(4-methoxy-3-phenylmethoxyphenyl)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-benzoxy-4-methoxy-phenyl)-2-[4-(2-ketochromen-3-yl)thiazol-2-yl]acrylonitrile Formula: C29H20N2O4S MolecularWeight: 492.5451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O)OCC5=CC=CC=C5

InChI

InChI=1S/C29H20N2O4S/c1-33-26-12-11-20(14-27(26)34-17-19-7-3-2-4-8-19)13-22(16-30)28-31-24(18-36-28)23-15-21-9-5-6-10-25(21)35-29(23)32/h2-15,18H,17H2,1H3/b22-13+