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

Systemtic Name: [7-methylsulfanyl-8-oxidanylidene-2-phosphonato-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ethanoate Openeye Name: [7-methylsulfanyl-8-oxo-2-phosphonato-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate CAS Name: acetic acid [7-(methylthio)-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-phosphonato-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester IUPAC Name: [7-methylsulfanyl-8-oxo-2-phosphonato-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate Traditional Name: acetic acid [8-keto-7-(methylthio)-2-phosphonato-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl ester Formula: C16H17N2O7PS3-2 MolecularWeight: 476.484141

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)SC)SC1)P(=O)([O-])[O-]

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)(NC(=O)CC3=CC=CS3)SC)SC1)P(=O)([O-])[O-]

InChI

InChI=1S/C16H19N2O7PS3/c1-9(19)25-7-10-8-29-15-16(27-2,14(21)18(15)13(10)26(22,23)24)17-12(20)6-11-4-3-5-28-11/h3-5,15H,6-8H2,1-2H3,(H,17,20)(H2,22,23,24)/p-2