7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-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: 7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]imino-2-(1,2,4-thiadiazol-3-yl)ethanoyl]amino]-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: 7-[[(2E)-2-(2-tert-butoxy-2-oxo-ethoxy)imino-2-(1,2,4-thiadiazol-3-yl)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: 7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-1-oxo-2-(1,2,4-thiadiazol-3-yl)ethyl]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: 7-[[(2E)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-2-(1,2,4-thiadiazol-3-yl)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: 7-[[(2E)-2-(2-tert-butoxy-2-keto-ethyl)oximino-2-(1,2,4-thiadiazol-3-yl)acetyl]amino]-8-keto-3-[[(1-methyltetrazol-5-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H23N9O7S3 MolecularWeight: 597.64772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CON=C(C1=NSC=N1)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)CO/N=C(\C1=NSC=N1)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NN=NN4C)C(=O)O

InChI

InChI=1S/C20H23N9O7S3/c1-20(2,3)36-10(30)5-35-24-11(14-21-8-39-25-14)15(31)22-12-16(32)29-13(18(33)34)9(6-37-17(12)29)7-38-19-23-26-27-28(19)4/h8,12,17H,5-7H2,1-4H3,(H,22,31)(H,33,34)/b24-11+