methyl 1-[2-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[(E)-3-(3-chlorobenzothiophen-2-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(E)-3-(3-chloro-1-benzothiophen-2-yl)-1-oxoprop-2-enoxy]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(E)-3-(3-chloro-1-benzothiophen-2-yl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(E)-3-(3-chlorobenzothiophen-2-yl)acryloyl]oxyacetyl]isonipecotic acid methyl ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)COC(=O)C=CC2=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)COC(=O)/C=C/C2=C(C3=CC=CC=C3S2)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-26-20(25)13-8-10-22(11-9-13)17(23)12-27-18(24)7-6-16-19(21)14-4-2-3-5-15(14)28-16/h2-7,13H,8-12H2,1H3/b7-6+