ethyl 4-[3,4-bis(oxidanylidene)-2-(thiophen-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3,4-bis(oxidanylidene)-2-(thiophen-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3,4-dioxo-2-(2-thienylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate CAS Name: 4-[3,4-dioxo-2-(thiophen-2-ylmethylamino)-1-cyclobutenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3,4-dioxo-2-(thiophen-2-ylmethylamino)cyclobuten-1-yl]piperazine-1-carboxylate Traditional Name: 4-[3,4-diketo-2-(2-thenylamino)cyclobuten-1-yl]piperazine-1-carboxylic acid ethyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)C2=O)NCC3=CC=CS3

InChI

InChI=1S/C16H19N3O4S/c1-2-23-16(22)19-7-5-18(6-8-19)13-12(14(20)15(13)21)17-10-11-4-3-9-24-11/h3-4,9,17H,2,5-8,10H2,1H3