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

Systemtic Name: (E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-ethoxy-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-ethoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)-2-cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)acrylamide Formula: C28H25N3O4S MolecularWeight: 499.5808

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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)OCC)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)OCC)/C#N

InChI

InChI=1S/C28H25N3O4S/c1-3-33-22-11-12-23-26(16-22)36-28(30-23)31-27(32)21(17-29)14-20-10-13-24(25(15-20)34-4-2)35-18-19-8-6-5-7-9-19/h5-16H,3-4,18H2,1-2H3,(H,30,31,32)/b21-14+