3-(acetyloxymethyl)-7-[[4-(2-azanylethyl)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-(2-azanylethyl)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-(2-aminoethyl)-1-piperidyl]methyleneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[4-(2-aminoethyl)-1-piperidinyl]methylideneamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[4-(2-aminoethyl)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-(2-aminoethyl)piperidino]methyleneamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O5S/c1-11(23)27-8-13-9-28-17-14(16(24)22(17)15(13)18(25)26)20-10-21-6-3-12(2-5-19)4-7-21/h10,12,14,17H,2-9,19H2,1H3,(H,25,26)