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

Systemtic Name: methyl 1-(6-bromanyl-4-oxidanylidene-thiochromen-3-yl)piperidine-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 1-(6-bromo-4-oxothiochromen-3-yl)piperidine-4-carboxylate Traditional Name: 1-(6-bromo-4-keto-thiochromen-3-yl)isonipecotic acid methyl ester Formula: C16H16BrNO3S MolecularWeight: 382.27214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrNO3S/c1-21-16(20)10-4-6-18(7-5-10)13-9-22-14-3-2-11(17)8-12(14)15(13)19/h2-3,8-10H,4-7H2,1H3