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

Systemtic Name: acetyloxymethyl 3-(acetyloxymethyl)-7-[[4-(3-azanylpropyl)piperidin-1-yl]methylideneamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: acetoxymethyl 3-(acetoxymethyl)-7-[[4-(3-aminopropyl)-1-piperidyl]methyleneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[[4-(3-aminopropyl)-1-piperidinyl]methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetyloxymethyl ester IUPAC Name: acetyloxymethyl 3-(acetyloxymethyl)-7-[[4-(3-aminopropyl)piperidin-1-yl]methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[[4-(3-aminopropyl)piperidino]methyleneamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid acetoxymethyl ester Formula: C22H32N4O7S MolecularWeight: 496.57708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O7S/c1-14(27)31-10-17-11-34-21-18(24-12-25-8-5-16(6-9-25)4-3-7-23)20(29)26(21)19(17)22(30)33-13-32-15(2)28/h12,16,18,21H,3-11,13,23H2,1-2H3