(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (E)-3-(5-bromanylthiophen-2-yl)prop-2-enoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (E)-3-(5-bromo-2-thienyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-thiophenyl)-2-propenoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (E)-3-(5-bromothiophen-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-thienyl)acrylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C13H11BrN2O3S MolecularWeight: 355.20704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C=CC1=CC=C(S1)Br

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)/C=C/C1=CC=C(S1)Br

InChI

InChI=1S/C13H11BrN2O3S/c1-8(16)10(6-15)11(17)7-19-13(18)5-3-9-2-4-12(14)20-9/h2-5,10,16H,7H2,1H3/b5-3+,16-8?