2-[2,2-bis(3-methylthiophen-2-yl)ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid

Systemtic Name: 2-[2,2-bis(3-methylthiophen-2-yl)ethenyl]-1-(2-oxidanylideneethyl)piperidine-3-carboxylic acid Openeye Name: 2-[2,2-bis(3-methyl-2-thienyl)vinyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid CAS Name: 2-[2,2-bis(3-methyl-2-thiophenyl)ethenyl]-1-(2-oxoethyl)-3-piperidinecarboxylic acid IUPAC Name: 2-[2,2-bis(3-methylthiophen-2-yl)ethenyl]-1-(2-oxoethyl)piperidine-3-carboxylic acid Traditional Name: 2-[2,2-bis(3-methyl-2-thienyl)vinyl]-1-(2-ketoethyl)nipecotic acid Formula: C20H23NO3S2 MolecularWeight: 389.53152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=CC2C(CCCN2CC=O)C(=O)O)C3=C(C=CS3)C

Isomeric SMILES

CC1=C(SC=C1)C(=CC2C(CCCN2CC=O)C(=O)O)C3=C(C=CS3)C

InChI

InChI=1S/C20H23NO3S2/c1-13-5-10-25-18(13)16(19-14(2)6-11-26-19)12-17-15(20(23)24)4-3-7-21(17)8-9-22/h5-6,9-12,15,17H,3-4,7-8H2,1-2H3,(H,23,24)