6-(5-chloranylthiophen-2-yl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one

Systemtic Name: 6-(5-chloranylthiophen-2-yl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-yl-amino]chromen-2-one Openeye Name: 6-(5-chloro-2-thienyl)-4-[[(E)-cinnamyl]-(4-piperidyl)amino]chromen-2-one CAS Name: 6-(5-chloro-2-thiophenyl)-4-[[(E)-3-phenylprop-2-enyl]-(4-piperidinyl)amino]-1-benzopyran-2-one IUPAC Name: 6-(5-chlorothiophen-2-yl)-4-[[(E)-3-phenylprop-2-enyl]-piperidin-4-ylamino]chromen-2-one Traditional Name: 6-(5-chloro-2-thienyl)-4-[[(E)-cinnamyl]-(4-piperidyl)amino]coumarin Formula: C27H25ClN2O2S MolecularWeight: 477.0176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1N(CC=CC2=CC=CC=C2)C3=CC(=O)OC4=C3C=C(C=C4)C5=CC=C(S5)Cl

Isomeric SMILES

C1CNCCC1N(C/C=C/C2=CC=CC=C2)C3=CC(=O)OC4=C3C=C(C=C4)C5=CC=C(S5)Cl

InChI

InChI=1S/C27H25ClN2O2S/c28-26-11-10-25(33-26)20-8-9-24-22(17-20)23(18-27(31)32-24)30(21-12-14-29-15-13-21)16-4-7-19-5-2-1-3-6-19/h1-11,17-18,21,29H,12-16H2/b7-4+