7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-ynyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-ethanoyl]amino]-8-oxidanylidene-3-[(1-prop-2-ynyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-acetyl]amino]-8-oxo-3-[(1-prop-2-ynyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxoethyl]amino]-8-oxo-3-[[(1-prop-2-ynyl-5-tetrazolyl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]iminoacetyl]amino]-8-oxo-3-[(1-prop-2-ynyltetrazol-5-yl)sulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(2-tert-butoxy-2-keto-ethyl)oximino-acetyl]amino]-8-keto-3-[[(1-propargyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H24N10O7S3 MolecularWeight: 636.68376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=NSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC#C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=NSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4CC#C)C(=O)O

InChI

InChI=1S/C22H24N10O7S3/c1-5-6-31-21(26-29-30-31)41-9-10-8-40-18-13(17(35)32(18)14(10)19(36)37)24-16(34)12(15-25-20(23)42-28-15)27-38-7-11(33)39-22(2,3)4/h1,13,18H,6-9H2,2-4H3,(H,24,34)(H,36,37)(H2,23,25,28)/b27-12+