(E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-(4-phenylthiazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-(4-phenyl-2-thiazolyl)-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-(4-phenylthiazol-2-yl)acrylonitrile Formula: C27H20N2O3S MolecularWeight: 452.5243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H20N2O3S/c1-31-26-15-19(12-13-25(26)32-17-24(30)21-10-6-3-7-11-21)14-22(16-28)27-29-23(18-33-27)20-8-4-2-5-9-20/h2-15,18H,17H2,1H3/b22-14+