(6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-1-en-2-yloxyimino-ethanoyl]amino]-8-oxidanylidene-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-1-en-2-yloxyimino-ethanoyl]amino]-8-oxidanylidene-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-isopropenyloxyimino-acetyl]amino]-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(1-methylethenoxyimino)-1-oxoethyl]amino]-8-oxo-3-[(2-phenyl-3-pyrazolyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-1-en-2-yloxyiminoacetyl]amino]-8-oxo-3-(2-phenylpyrazol-3-yl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-7-[[(2Z)-2-(2-aminothiazol-4-yl)-2-isopropenyloximino-acetyl]amino]-8-keto-3-[(2-phenylpyrazol-3-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C24H21N7O5S3 MolecularWeight: 583.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=CC=NN4C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC(=C)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)SC4=CC=NN4C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C24H21N7O5S3/c1-12(2)36-29-17(14-10-38-24(25)27-14)20(32)28-18-21(33)30-19(23(34)35)15(11-37-22(18)30)39-16-8-9-26-31(16)13-6-4-3-5-7-13/h3-10,18,22H,1,11H2,2H3,(H2,25,27)(H,28,32)(H,34,35)/b29-17-/t18-,22-/m1/s1