2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-[3,4-bis(oxidanyl)phenyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-[3,4-bis(oxidanyl)phenyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[7-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-(3,4-dihydroxyphenyl)thiazole-4-carboxylic acid CAS Name: 2-[7-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-(3,4-dihydroxyphenyl)-4-thiazolecarboxylic acid IUPAC Name: 2-[7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-2-carboxyoxy-7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-(3,4-dihydroxyphenyl)-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[7-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-carboxyoxy-8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]-5-(3,4-dihydroxyphenyl)thiazole-4-carboxylic acid Formula: C26H20N6O10S4 MolecularWeight: 704.7312

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Descriptors Computed from Structure

Canonical SMILES:

C=CCON=C(C1=CSC(=N1)N)C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=C(S4)C5=CC(=C(C=C5)O)O)C(=O)O)OC(=O)O)C=S

Isomeric SMILES

C=CCO/N=C(\C1=CSC(=N1)N)/C(=O)NC2(C3N(C2=O)C(=C(CS3)C4=NC(=C(S4)C5=CC(=C(C=C5)O)O)C(=O)O)OC(=O)O)C=S

InChI

InChI=1S/C26H20N6O10S4/c1-2-5-41-31-15(12-8-45-24(27)28-12)18(35)30-26(9-43)22(38)32-20(42-25(39)40)11(7-44-23(26)32)19-29-16(21(36)37)17(46-19)10-3-4-13(33)14(34)6-10/h2-4,6,8-9,23,33-34H,1,5,7H2,(H2,27,28)(H,30,35)(H,36,37)(H,39,40)/b31-15+