7-[[(2E)-2-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)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-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)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-(2-formamidothiazol-4-yl)-2-(thietan-3-yloxyimino)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-(2-formamido-4-thiazolyl)-1-oxo-2-(3-thietanyloxyimino)ethyl]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-(2-formamido-1,3-thiazol-4-yl)-2-(thietan-3-yloxyimino)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 Traditional Name: 7-[[(2E)-2-(2-formamidothiazol-4-yl)-2-(thietan-3-yloximino)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: C21H19N9O6S4 MolecularWeight: 621.69226

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC4CSC4)C5=CSC(=N5)NC=O)SC2)C(=O)O

Isomeric SMILES

C#CCN1C(=NN=N1)SCC2=C(N3C(C(C3=O)NC(=O)/C(=N/OC4CSC4)/C5=CSC(=N5)NC=O)SC2)C(=O)O

InChI

InChI=1S/C21H19N9O6S4/c1-2-3-29-21(25-27-28-29)40-5-10-4-38-18-14(17(33)30(18)15(10)19(34)35)24-16(32)13(26-36-11-6-37-7-11)12-8-39-20(23-12)22-9-31/h1,8-9,11,14,18H,3-7H2,(H,24,32)(H,34,35)(H,22,23,31)/b26-13+