3-[4-(aminomethyl)phenyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 3-[4-(aminomethyl)phenyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 3-[4-(aminomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 3-[4-(aminomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 3-[4-(aminomethyl)phenyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 3-[4-(aminomethyl)phenyl]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)C3=CC=C(C=C3)CN)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)C3=CC=C(C=C3)CN)C(=O)O

InChI

InChI=1S/C13H12N2O3S/c14-6-7-1-3-8(4-2-7)12-11(13(17)18)15-9(16)5-10(15)19-12/h1-4,10H,5-6,14H2,(H,17,18)