3-[[3-(2-azanyl-2-azanylidene-ethyl)sulfanyl-4-cyano-1,2-thiazol-5-yl]sulfanylmethyl]-7-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)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-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)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-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloxyimino)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-[[(2Z)-2-(2-amino-4-thiazolyl)-2-(carboxymethyloxyimino)-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-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethyloxyimino)acetyl]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-[[(2Z)-2-(2-aminothiazol-4-yl)-2-(carboxymethyloximino)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H19N9O7S5 MolecularWeight: 669.75666

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOCC(=O)O)C3=CSC(=N3)N)C(=O)O)CSC4=C(C(=NS4)SCC(=N)N)C#N

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\OCC(=O)O)/C3=CSC(=N3)N)C(=O)O)CSC4=C(C(=NS4)SCC(=N)N)C#N

InChI

InChI=1S/C21H19N9O7S5/c22-1-8-16(38-6-10(23)24)29-42-20(8)40-4-7-3-39-18-13(17(34)30(18)14(7)19(35)36)27-15(33)12(28-37-2-11(31)32)9-5-41-21(25)26-9/h5,13,18H,2-4,6H2,(H3,23,24)(H2,25,26)(H,27,33)(H,31,32)(H,35,36)/b28-12-