(6R,7R)-7-[2-[2-[(E)-methoxyiminomethyl]phenyl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: (6R,7R)-7-[2-[2-[(E)-methoxyiminomethyl]phenyl]ethanoylamino]-3-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: (6R,7R)-7-[[2-[2-[(E)-methoxyiminomethyl]phenyl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: (6R,7R)-7-[[2-[2-[(E)-methoxyiminomethyl]phenyl]-1-oxoethyl]amino]-3-[[(1-methyl-5-tetrazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: (6R,7R)-7-[[2-[2-[(E)-methoxyiminomethyl]phenyl]acetyl]amino]-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: (6R,7R)-8-keto-7-[[2-[2-[(E)-methyloximinomethyl]phenyl]acetyl]amino]-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H21N7O5S2 MolecularWeight: 503.55464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4C=NOC)SC2)C(=O)O

Isomeric SMILES

CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CC=CC=C4/C=N/OC)SC2)C(=O)O

InChI

InChI=1S/C20H21N7O5S2/c1-26-20(23-24-25-26)34-10-13-9-33-18-15(17(29)27(18)16(13)19(30)31)22-14(28)7-11-5-3-4-6-12(11)8-21-32-2/h3-6,8,15,18H,7,9-10H2,1-2H3,(H,22,28)(H,30,31)/b21-8+/t15-,18-/m1/s1