3-acetyloxy-7-[(2-azanyl-2-thiophen-2-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-acetyloxy-7-[(2-azanyl-2-thiophen-2-yl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-acetoxy-7-[[2-amino-2-(2-thienyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-acetyloxy-7-[(2-amino-1-oxo-2-thiophen-2-ylethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-acetyloxy-7-[(2-amino-2-thiophen-2-ylacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-acetoxy-7-[[2-amino-2-(2-thienyl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H15N3O6S2 MolecularWeight: 397.4261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CS3)N)SC1)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CS3)N)SC1)C(=O)O

InChI

InChI=1S/C15H15N3O6S2/c1-6(19)24-7-5-26-14-10(13(21)18(14)11(7)15(22)23)17-12(20)9(16)8-3-2-4-25-8/h2-4,9-10,14H,5,16H2,1H3,(H,17,20)(H,22,23)