ethyl 5-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-2-(4-phenyl-2-thiazolyl)ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-2-(4-phenyl-1,3-thiazol-2-yl)ethenyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-2-(4-phenylthiazol-2-yl)vinyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)/C=C(\C#N)/C2=NC(=CS2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H19N3O2S/c1-4-26-21(25)19-13(2)17(23-14(19)3)10-16(11-22)20-24-18(12-27-20)15-8-6-5-7-9-15/h5-10,12,23H,4H2,1-3H3/b16-10+