2-methoxyethyl (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoate

Systemtic Name: 2-methoxyethyl (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyano-prop-2-enoate Openeye Name: 2-methoxyethyl (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-prop-2-enoate CAS Name: (E)-3-[2-(3-bromophenyl)-4-thiazolyl]-2-cyano-2-propenoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl (E)-3-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-2-cyanoprop-2-enoate Traditional Name: (E)-3-[2-(3-bromophenyl)thiazol-4-yl]-2-cyano-acrylic acid 2-methoxyethyl ester Formula: C16H13BrN2O3S MolecularWeight: 393.25502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(=CC1=CSC(=N1)C2=CC(=CC=C2)Br)C#N

Isomeric SMILES

COCCOC(=O)/C(=C/C1=CSC(=N1)C2=CC(=CC=C2)Br)/C#N

InChI

InChI=1S/C16H13BrN2O3S/c1-21-5-6-22-16(20)12(9-18)8-14-10-23-15(19-14)11-3-2-4-13(17)7-11/h2-4,7-8,10H,5-6H2,1H3/b12-8+