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

Systemtic Name: ethyl 1-[2-[(E)-3-(3-chloranyl-1-benzothiophen-2-yl)prop-2-enoyl]oxyethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22ClNO5S MolecularWeight: 435.92108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClNO5S/c1-2-27-21(26)14-9-11-23(12-10-14)18(24)13-28-19(25)8-7-17-20(22)15-5-3-4-6-16(15)29-17/h3-8,14H,2,9-13H2,1H3/b8-7+