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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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