[7-methoxy-8-oxidanylidene-7-(2-phenylethanoylamino)-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate

Systemtic Name: [7-methoxy-8-oxidanylidene-7-(2-phenylethanoylamino)-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate Openeye Name: [7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate CAS Name: acetic acid [7-methoxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: [7-methoxy-8-oxo-7-[(2-phenylacetyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate Traditional Name: acetic acid [8-keto-7-methoxy-7-[(2-phenylacetyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C18H19N2O8PS-2 MolecularWeight: 454.390821

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CC=C3)OC)SC1)P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CC=C3)OC)SC1)P(=O)([O-])[O-]

InChI

InChI=1S/C18H21N2O8PS/c1-11(21)28-9-13-10-30-17-18(27-2,16(23)20(17)15(13)29(24,25)26)19-14(22)8-12-6-4-3-5-7-12/h3-7,17H,8-10H2,1-2H3,(H,19,22)(H2,24,25,26)/p-2