butyl (E)-2-cyano-3-[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]prop-2-enoate

Systemtic Name: butyl (E)-2-cyano-3-[2-[(2,3-dimethylphenyl)-ethanoyl-amino]-1,3-thiazol-4-yl]prop-2-enoate Openeye Name: butyl (E)-3-[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(N-acetyl-2,3-dimethylanilino)-4-thiazolyl]-2-cyano-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[2-(N-acetyl-2,3-dimethylanilino)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(N-acetyl-2,3-dimethyl-anilino)thiazol-4-yl]-2-cyano-acrylic acid butyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=CC1=CSC(=N1)N(C2=CC=CC(=C2C)C)C(=O)C)C#N

Isomeric SMILES

CCCCOC(=O)/C(=C/C1=CSC(=N1)N(C2=CC=CC(=C2C)C)C(=O)C)/C#N

InChI

InChI=1S/C21H23N3O3S/c1-5-6-10-27-20(26)17(12-22)11-18-13-28-21(23-18)24(16(4)25)19-9-7-8-14(2)15(19)3/h7-9,11,13H,5-6,10H2,1-4H3/b17-11+