(E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-3-(2-propoxyphenyl)acrylamide Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C=C(C#N)C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

Isomeric SMILES

CCCOC1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C3=NC4=C(S3)C=C(C=C4)C

InChI

InChI=1S/C27H23N3O2S/c1-3-14-32-24-7-5-4-6-20(24)16-21(17-28)26(31)29-22-11-9-19(10-12-22)27-30-23-13-8-18(2)15-25(23)33-27/h4-13,15-16H,3,14H2,1-2H3,(H,29,31)/b21-16+