1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-3-ethyl-piperidine-3-carboxylate

Systemtic Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-3-ethyl-piperidine-3-carboxylate Openeye Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-3-ethyl-piperidine-3-carboxylate CAS Name: 1-[4,4-bis(3-methyl-2-thiophenyl)but-3-enyl]-3-ethyl-3-piperidinecarboxylate IUPAC Name: 1-[4,4-bis(3-methylthiophen-2-yl)but-3-enyl]-3-ethylpiperidine-3-carboxylate Traditional Name: 1-[4,4-bis(3-methyl-2-thienyl)but-3-enyl]-3-ethyl-nipecotate Formula: C22H28NO2S2- MolecularWeight: 402.59322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1)CCC=C(C2=C(C=CS2)C)C3=C(C=CS3)C)C(=O)[O-]

Isomeric SMILES

CCC1(CCCN(C1)CCC=C(C2=C(C=CS2)C)C3=C(C=CS3)C)C(=O)[O-]

InChI

InChI=1S/C22H29NO2S2/c1-4-22(21(24)25)10-6-12-23(15-22)11-5-7-18(19-16(2)8-13-26-19)20-17(3)9-14-27-20/h7-9,13-14H,4-6,10-12,15H2,1-3H3,(H,24,25)/p-1