ethyl 1-butyl-2,6-bis(oxidanylidene)-4-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: ethyl 1-butyl-2,6-bis(oxidanylidene)-4-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: ethyl 1-butyl-2,6-dioxo-4-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-butyl-2,6-dioxo-4-thiophen-2-yl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2,6-dioxo-4-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 1-butyl-2,6-diketo-4-(2-thienyl)nipecotic acid ethyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)CC(C(C1=O)C(=O)OCC)C2=CC=CS2

Isomeric SMILES

CCCCN1C(=O)CC(C(C1=O)C(=O)OCC)C2=CC=CS2

InChI

InChI=1S/C16H21NO4S/c1-3-5-8-17-13(18)10-11(12-7-6-9-22-12)14(15(17)19)16(20)21-4-2/h6-7,9,11,14H,3-5,8,10H2,1-2H3