3-(acetyloxymethyl)-7-[[4-(3-azanylpropyl)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-(3-azanylpropyl)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-(3-aminopropyl)-1-piperidyl]methyleneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid 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 IUPAC Name: 3-(acetyloxymethyl)-7-[[4-(3-aminopropyl)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-(3-aminopropyl)piperidino]methyleneamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H28N4O5S MolecularWeight: 424.51442

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O5S/c1-12(24)28-9-14-10-29-18-15(17(25)23(18)16(14)19(26)27)21-11-22-7-4-13(5-8-22)3-2-6-20/h11,13,15,18H,2-10,20H2,1H3,(H,26,27)