3-[[3-(2-azanyl-2-azanylidene-ethyl)sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[3-(2-azanyl-2-azanylidene-ethyl)sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[3-(2-amino-2-imino-ethyl)sulfanyl-4-cyano-isothiazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[[3-[(2-amino-2-iminoethyl)thio]-4-cyano-5-isothiazolyl]thio]methyl]-7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[3-(2-amino-2-iminoethyl)sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanylmethyl]-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[[3-[(2-amino-2-imino-ethyl)thio]-4-cyano-isothiazol-5-yl]thio]methyl]-7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H19N9O5S5 MolecularWeight: 625.74716

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Descriptors Computed from Structure

Canonical SMILES:

CON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=NS4)SCC(=N)N)C#N)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=C(C(=NS4)SCC(=N)N)C#N)C(=O)O

InChI

InChI=1S/C20H19N9O5S5/c1-34-27-11(9-5-38-20(24)25-9)14(30)26-12-16(31)29-13(18(32)33)7(3-36-17(12)29)4-37-19-8(2-21)15(28-39-19)35-6-10(22)23/h5,12,17H,3-4,6H2,1H3,(H3,22,23)(H2,24,25)(H,26,30)(H,32,33)/b27-11+