3-[[4-(2-azanyl-2-azanylidene-ethyl)sulfanyl-1,3-thiazol-2-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-[[4-(2-azanyl-2-azanylidene-ethyl)sulfanyl-1,3-thiazol-2-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-[[4-(2-amino-2-imino-ethyl)sulfanylthiazol-2-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-[[[4-[(2-amino-2-iminoethyl)thio]-2-thiazolyl]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-[[4-(2-amino-2-iminoethyl)sulfanyl-1,3-thiazol-2-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-[[[4-[(2-amino-2-imino-ethyl)thio]thiazol-2-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: C19H20N8O5S5 MolecularWeight: 600.7377

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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=NC(=CS4)SCC(=N)N)C(=O)O

Isomeric SMILES

CO/N=C(\C1=CSC(=N1)N)/C(=O)NC2C3N(C2=O)C(=C(CS3)CSC4=NC(=CS4)SCC(=N)N)C(=O)O

InChI

InChI=1S/C19H20N8O5S5/c1-32-26-11(8-4-35-18(22)23-8)14(28)25-12-15(29)27-13(17(30)31)7(2-34-16(12)27)3-36-19-24-10(6-37-19)33-5-9(20)21/h4,6,12,16H,2-3,5H2,1H3,(H3,20,21)(H2,22,23)(H,25,28)(H,30,31)/b26-11+