ethyl 1-[(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxidanylidene-propyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3E)-3-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxo-propyl]piperidine-3-carboxylate CAS Name: 1-[(3E)-3-[4-(4-bromophenyl)-3H-thiazol-2-ylidene]-3-cyano-2-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3E)-3-[4-(4-bromophenyl)-3H-1,3-thiazol-2-ylidene]-3-cyano-2-oxopropyl]piperidine-3-carboxylate Traditional Name: 1-[(3E)-3-[4-(4-bromophenyl)-4-thiazolin-2-ylidene]-3-cyano-2-keto-propyl]nipecotic acid ethyl ester Formula: C21H22BrN3O3S MolecularWeight: 476.38668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)C(=C2NC(=CS2)C3=CC=C(C=C3)Br)C#N

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)/C(=C/2\NC(=CS2)C3=CC=C(C=C3)Br)/C#N

InChI

InChI=1S/C21H22BrN3O3S/c1-2-28-21(27)15-4-3-9-25(11-15)12-19(26)17(10-23)20-24-18(13-29-20)14-5-7-16(22)8-6-14/h5-8,13,15,24H,2-4,9,11-12H2,1H3/b20-17+