(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate

Systemtic Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Openeye Name: [2-(3-thienyl)thiazol-4-yl]methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-dimethylaminophenyl)-2-propenoic acid [2-(3-thiophenyl)-4-thiazolyl]methyl ester IUPAC Name: (2-thiophen-3-yl-1,3-thiazol-4-yl)methyl (E)-2-cyano-3-(4-dimethylaminophenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-dimethylaminophenyl)acrylic acid [2-(3-thienyl)thiazol-4-yl]methyl ester Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)OCC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C20H17N3O2S2/c1-23(2)18-5-3-14(4-6-18)9-16(10-21)20(24)25-11-17-13-27-19(22-17)15-7-8-26-12-15/h3-9,12-13H,11H2,1-2H3/b16-9+