3-(acetyloxymethyl)-7-[[4-(aminomethyl)piperidin-1-yl]methylideneamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-7-[[4-(aminomethyl)piperidin-1-yl]methylideneamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[4-(aminomethyl)-1-piperidyl]methyleneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[4-(aminomethyl)-1-piperidinyl]methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[4-(aminomethyl)piperidin-1-yl]methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[4-(aminomethyl)piperidino]methyleneamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H24N4O5S MolecularWeight: 396.46126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)N=CN3CCC(CC3)CN)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)N=CN3CCC(CC3)CN)SC1)C(=O)O

InChI

InChI=1S/C17H24N4O5S/c1-10(22)26-7-12-8-27-16-13(15(23)21(16)14(12)17(24)25)19-9-20-4-2-11(6-18)3-5-20/h9,11,13,16H,2-8,18H2,1H3,(H,24,25)