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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-[2-(2-pyridyl)thiazol-4-yl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-[2-(2-pyridinyl)-4-thiazolyl]prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-[2-(2-pyridyl)thiazol-4-yl]acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CSC(=N2)C3=CC=CC=N3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CSC(=N2)C3=CC=CC=N3)/C#N)C

InChI

InChI=1S/C21H18N4O3S/c1-4-28-21(27)17-12(2)18(24-13(17)3)19(26)14(10-22)9-15-11-29-20(25-15)16-7-5-6-8-23-16/h5-9,11,24H,4H2,1-3H3/b14-9+