ethyl 1-[(5Z)-5-[(5-bromanyl-1H-indol-3-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5Z)-5-[(5-bromanyl-1H-indol-3-yl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylene]-4-oxo-thiazol-2-yl]piperidine-4-carboxylate CAS Name: 1-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylidene]-4-oxo-2-thiazolyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate Traditional Name: 1-[(5Z)-5-[(5-bromo-1H-indol-3-yl)methylene]-4-keto-2-thiazolin-2-yl]isonipecotic acid ethyl ester Formula: C20H20BrN3O3S MolecularWeight: 462.3601

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=NC(=O)C(=CC3=CNC4=C3C=C(C=C4)Br)S2

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=NC(=O)/C(=C/C3=CNC4=C3C=C(C=C4)Br)/S2

InChI

InChI=1S/C20H20BrN3O3S/c1-2-27-19(26)12-5-7-24(8-6-12)20-23-18(25)17(28-20)9-13-11-22-16-4-3-14(21)10-15(13)16/h3-4,9-12,22H,2,5-8H2,1H3/b17-9-