3-[diacetyloxy(thiophen-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[diacetyloxy(thiophen-2-yl)methyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[diacetoxy(2-thienyl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[diacetyloxy(thiophen-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[diacetyloxy(thiophen-2-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[diacetoxy(2-thienyl)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15NO7S2 MolecularWeight: 397.4228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=C(N2C(CC2=O)SC1)C(=O)O)(C3=CC=CS3)OC(=O)C

Isomeric SMILES

CC(=O)OC(C1=C(N2C(CC2=O)SC1)C(=O)O)(C3=CC=CS3)OC(=O)C

InChI

InChI=1S/C16H15NO7S2/c1-8(18)23-16(24-9(2)19,11-4-3-5-25-11)10-7-26-13-6-12(20)17(13)14(10)15(21)22/h3-5,13H,6-7H2,1-2H3,(H,21,22)