7-[(4-chloranyl-2-methyl-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-2-methyl-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-2-methyl-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-2-methyl-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-2-methylpyrazole-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-2-methyl-pyrazole-3-carbonyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H13ClN4O4S MolecularWeight: 356.78472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)C3=C(C=NN3C)Cl)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)C3=C(C=NN3C)Cl)SC1)C(=O)O

InChI

InChI=1S/C13H13ClN4O4S/c1-5-4-23-12-7(11(20)18(12)8(5)13(21)22)16-10(19)9-6(14)3-15-17(9)2/h3,7,12H,4H2,1-2H3,(H,16,19)(H,21,22)