ethyl (3R)-1-[(E)-4-(3-methylthiophen-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(E)-4-(3-methylthiophen-2-yl)-4-thiophen-2-yl-but-3-enyl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[(E)-4-(3-methyl-2-thienyl)-4-(2-thienyl)but-3-enyl]piperidine-3-carboxylate CAS Name: (3R)-1-[(E)-4-(3-methyl-2-thiophenyl)-4-thiophen-2-ylbut-3-enyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(E)-4-(3-methylthiophen-2-yl)-4-thiophen-2-ylbut-3-enyl]piperidine-3-carboxylate Traditional Name: (3R)-1-[(E)-4-(3-methyl-2-thienyl)-4-(2-thienyl)but-3-enyl]nipecotic acid ethyl ester Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CCC=C(C2=CC=CS2)C3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)[C@@H]1CCCN(C1)CC/C=C(\C2=CC=CS2)/C3=C(C=CS3)C

InChI

InChI=1S/C21H27NO2S2/c1-3-24-21(23)17-7-4-11-22(15-17)12-5-8-18(19-9-6-13-25-19)20-16(2)10-14-26-20/h6,8-10,13-14,17H,3-5,7,11-12,15H2,1-2H3/b18-8+/t17-/m1/s1