(E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-methoxy-phenyl)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-methoxy-phenyl)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)acrylamide Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)/C(=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)/C#N

InChI

InChI=1S/C27H23N3O4S/c1-3-33-21-10-11-22-25(15-21)35-27(29-22)30-26(31)20(16-28)13-19-9-12-23(24(14-19)32-2)34-17-18-7-5-4-6-8-18/h4-15H,3,17H2,1-2H3,(H,29,30,31)/b20-13+