3-chloranyl-8-oxidanylidene-7-[(5-prop-2-enyl-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-chloranyl-8-oxidanylidene-7-[(5-prop-2-enyl-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(5-allyl-1H-imidazol-2-yl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-chloro-8-oxo-7-[(5-prop-2-enyl-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-chloro-8-oxo-7-[(5-prop-2-enyl-1H-imidazol-2-yl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(5-allyl-1H-imidazol-2-yl)amino]-3-chloro-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CN=C(N1)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)O

Isomeric SMILES

C=CCC1=CN=C(N1)NC2C3N(C2=O)C(=C(CS3)Cl)C(=O)O

InChI

InChI=1S/C13H13ClN4O3S/c1-2-3-6-4-15-13(16-6)17-8-10(19)18-9(12(20)21)7(14)5-22-11(8)18/h2,4,8,11H,1,3,5H2,(H,20,21)(H2,15,16,17)