7-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]ethanoylamino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2,4-thiadiazol-3-yl]-1-oxoethyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]acetyl]amino]-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]acetyl]amino]-8-keto-3-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H21N7O6S4 MolecularWeight: 571.67334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(N3C(C(C3=O)NC(=O)CC4=NSC(=N4)NC(=O)OC(C)(C)C)SC2)C(=O)O

Isomeric SMILES

CC1=NN=C(S1)SC2=C(N3C(C(C3=O)NC(=O)CC4=NSC(=N4)NC(=O)OC(C)(C)C)SC2)C(=O)O

InChI

InChI=1S/C19H21N7O6S4/c1-7-23-24-18(34-7)35-8-6-33-14-11(13(28)26(14)12(8)15(29)30)21-10(27)5-9-20-16(36-25-9)22-17(31)32-19(2,3)4/h11,14H,5-6H2,1-4H3,(H,21,27)(H,29,30)(H,20,22,25,31)