7-azanyl-3-(1,3-benzodioxol-5-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-(1,3-benzodioxol-5-ylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(1,3-benzodioxol-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-(1,3-benzodioxol-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(1,3-benzodioxol-5-ylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-piperonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C15H14N2O5S/c16-11-13(18)17-12(15(19)20)8(5-23-14(11)17)3-7-1-2-9-10(4-7)22-6-21-9/h1-2,4,11,14H,3,5-6,16H2,(H,19,20)