7-[(2-azanyl-3-methyl-phenyl)carbamoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(2-azanyl-3-methyl-phenyl)carbamoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-amino-3-methyl-phenyl)carbamoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2-amino-3-methylanilino)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-amino-3-methylphenyl)carbamoylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-amino-3-methyl-phenyl)carbamoylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N4O4S MolecularWeight: 348.37694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O)N

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC2C3N(C2=O)C(=CCS3)C(=O)O)N

InChI

InChI=1S/C15H16N4O4S/c1-7-3-2-4-8(10(7)16)17-15(23)18-11-12(20)19-9(14(21)22)5-6-24-13(11)19/h2-5,11,13H,6,16H2,1H3,(H,21,22)(H2,17,18,23)