ethyl 4-oxidanylidene-4-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butanoate

Systemtic Name: ethyl 4-oxidanylidene-4-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butanoate Openeye Name: ethyl 4-oxo-4-[4-[5-(2-thienyl)-6H-1,3,4-thiadiazin-2-yl]piperazin-1-yl]butanoate CAS Name: 4-oxo-4-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)-1-piperazinyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-oxo-4-[4-(5-thiophen-2-yl-6H-1,3,4-thiadiazin-2-yl)piperazin-1-yl]butanoate Traditional Name: 4-keto-4-[4-[5-(2-thienyl)-6H-1,3,4-thiadiazin-2-yl]piperazino]butyric acid ethyl ester Formula: C17H22N4O3S2 MolecularWeight: 394.51158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NN=C(CS2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCN(CC1)C2=NN=C(CS2)C3=CC=CS3

InChI

InChI=1S/C17H22N4O3S2/c1-2-24-16(23)6-5-15(22)20-7-9-21(10-8-20)17-19-18-13(12-26-17)14-4-3-11-25-14/h3-4,11H,2,5-10,12H2,1H3