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

Systemtic Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: 3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-N-[5-[(4-fluorophenyl)methyl]thiazol-2-yl]prop-2-enamide CAS Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-2-thiazolyl]-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: 2-cyano-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: 3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-N-[5-(4-fluorobenzyl)thiazol-2-yl]acrylamide Formula: C28H22FN3O3S MolecularWeight: 499.555983

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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=C(C=C3)F)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H22FN3O3S/c1-34-26-15-21(9-12-25(26)35-18-20-5-3-2-4-6-20)13-22(16-30)27(33)32-28-31-17-24(36-28)14-19-7-10-23(29)11-8-19/h2-13,15,17H,14,18H2,1H3,(H,31,32,33)