2-[7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-phenylmethoxyimino-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-phenylmethoxyimino-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-(2-aminothiazol-4-yl)-2-benzyloxyimino-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-phenylmethoxyiminoethyl]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-phenylmethoxyiminoacetyl]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-(2-aminothiazol-4-yl)-2-benzyloximino-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: C30H22N6O10S4 MolecularWeight: 754.78988

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)C(=NOCC3=CC=CC=C3)C4=CSC(=N4)N)OC(=O)O)C5=NC(=C(S5)C6=CC(=C(C=C6)O)O)C(=O)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)/C(=N/OCC3=CC=CC=C3)/C4=CSC(=N4)N)OC(=O)O)C5=NC(=C(S5)C6=CC(=C(C=C6)O)O)C(=O)O

InChI

InChI=1S/C30H22N6O10S4/c31-28-32-16(11-49-28)19(35-45-9-13-4-2-1-3-5-13)22(39)34-30(12-47)26(42)36-24(46-29(43)44)15(10-48-27(30)36)23-33-20(25(40)41)21(50-23)14-6-7-17(37)18(38)8-14/h1-8,11-12,27,37-38H,9-10H2,(H2,31,32)(H,34,39)(H,40,41)(H,43,44)/b35-19+