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

Systemtic Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-[4-(4-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(4-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: (E)-3-(3-methoxy-4-phenacyloxyphenyl)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: (E)-3-(3-methoxy-4-phenacyloxy-phenyl)-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C27H19N3O5S MolecularWeight: 497.52186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O5S/c1-34-26-14-18(7-12-25(26)35-16-24(31)20-5-3-2-4-6-20)13-21(15-28)27-29-23(17-36-27)19-8-10-22(11-9-19)30(32)33/h2-14,17H,16H2,1H3/b21-13+