ethyl (3E)-3-azanyl-2-cyano-3-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)propanoate hydrobromide

Systemtic Name: ethyl (3E)-3-azanyl-2-cyano-3-(4-oxidanylidene-2-phenylazanyl-1,3-thiazol-5-ylidene)propanoate hydrobromide Openeye Name: ethyl (3E)-3-amino-3-(2-anilino-4-oxo-thiazol-5-ylidene)-2-cyano-propanoate hydrobromide CAS Name: (3E)-3-amino-3-(2-anilino-4-oxo-5-thiazolylidene)-2-cyanopropanoic acid ethyl ester hydrobromide IUPAC Name: ethyl (3E)-3-amino-3-(2-anilino-4-oxo-1,3-thiazol-5-ylidene)-2-cyanopropanoate hydrobromide Traditional Name: (3E)-3-amino-3-(2-anilino-4-keto-2-thiazolin-5-ylidene)-2-cyano-propionic acid ethyl ester hydrobromide Formula: C15H15BrN4O3S MolecularWeight: 411.2736

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=C1C(=O)N=C(S1)NC2=CC=CC=C2)N.Br

Isomeric SMILES

CCOC(=O)C(C#N)/C(=C\1/C(=O)N=C(S1)NC2=CC=CC=C2)/N.Br

InChI

InChI=1S/C15H14N4O3S.BrH/c1-2-22-14(21)10(8-16)11(17)12-13(20)19-15(23-12)18-9-6-4-3-5-7-9;/h3-7,10H,2,17H2,1H3,(H,18,19,20);1H/b12-11+;