ethyl 1-(6-bromanyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(6-bromanyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate Openeye Name: ethyl 1-(6-bromo-4-oxo-thiochromen-3-yl)piperidine-4-carboxylate CAS Name: 1-(6-bromo-4-oxo-1-benzothiopyran-3-yl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6-bromo-4-oxothiochromen-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-bromo-4-keto-thiochromen-3-yl)isonipecotic acid ethyl ester Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CSC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C17H18BrNO3S/c1-2-22-17(21)11-5-7-19(8-6-11)14-10-23-15-4-3-12(18)9-13(15)16(14)20/h3-4,9-11H,2,5-8H2,1H3