7-[(4-chloranyl-1,5-dimethyl-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-1,5-dimethyl-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-1,5-dimethyl-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-1,5-dimethyl-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-1,5-dimethylpyrazole-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-1,5-dimethyl-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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3Cl)C)C)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=NN(C(=C3Cl)C)C)SC1)C(=O)O

InChI

InChI=1S/C14H15ClN4O4S/c1-5-4-24-13-9(12(21)19(13)10(5)14(22)23)16-11(20)8-7(15)6(2)18(3)17-8/h9,13H,4H2,1-3H3,(H,16,20)(H,22,23)