(6R,7R)-3-(acetyloxymethyl)-7-[[2-azanyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-azanyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-amino-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-amino-1-oxo-2-(1,3,5-trimethyl-4-pyrazolyl)ethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-3-(acetyloxymethyl)-7-[[2-amino-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-3-(acetoxymethyl)-7-[[2-amino-2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H23N5O6S MolecularWeight: 437.47012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C(C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)N

Isomeric SMILES

CC1=C(C(=NN1C)C)C(C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)O)N

InChI

InChI=1S/C18H23N5O6S/c1-7-11(8(2)22(4)21-7)12(19)15(25)20-13-16(26)23-14(18(27)28)10(5-29-9(3)24)6-30-17(13)23/h12-13,17H,5-6,19H2,1-4H3,(H,20,25)(H,27,28)/t12?,13-,17-/m1/s1