(E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-methoxy-4-phenylmethoxy-phenyl)-N-[5-(phenylmethyl)-1,3-thiazol-2-yl]prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-N-(5-benzylthiazol-2-yl)-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)-N-[5-(phenylmethyl)-2-thiazolyl]-2-propenamide IUPAC Name: (E)-N-(5-benzyl-1,3-thiazol-2-yl)-2-cyano-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-N-(5-benzylthiazol-2-yl)-2-cyano-acrylamide Formula: C28H23N3O3S MolecularWeight: 481.56552

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC=C(S2)CC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C28H23N3O3S/c1-33-26-16-22(12-13-25(26)34-19-21-10-6-3-7-11-21)14-23(17-29)27(32)31-28-30-18-24(35-28)15-20-8-4-2-5-9-20/h2-14,16,18H,15,19H2,1H3,(H,30,31,32)/b23-14+