7-[(4-chloranyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[(4-chloranyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(4-chloro-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H15ClN4O4S MolecularWeight: 370.8113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O)Cl

InChI

InChI=1S/C14H15ClN4O4S/c1-3-18-4-7(15)8(17-18)11(20)16-9-12(21)19-10(14(22)23)6(2)5-24-13(9)19/h4,9,13H,3,5H2,1-2H3,(H,16,20)(H,22,23)