7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1,3-dihydrobenzimidazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-3-[[2-methyl-5,6-bis(oxidanylidene)-1,3-dihydrobenzimidazol-2-yl]sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-3-[(2-methyl-5,6-dioxo-1,3-dihydrobenzimidazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-3-[[(2-methyl-5,6-dioxo-1,3-dihydrobenzimidazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[(2-methyl-5,6-dioxo-1,3-dihydrobenzimidazol-2-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-3-[[(5,6-diketo-2-methyl-1,3-dihydrobenzimidazol-2-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H21N7O7S3 MolecularWeight: 591.63984

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=CC(=O)C(=O)C=C2N1)SCC3=C(N4C(C(C4=O)NC(=O)C(=NOC)C5=CSC(=N5)N)SC3)C(=O)O

Isomeric SMILES

CC1(NC2=CC(=O)C(=O)C=C2N1)SCC3=C(N4C(C(C4=O)NC(=O)/C(=N/OC)/C5=CSC(=N5)N)SC3)C(=O)O

InChI

InChI=1S/C22H21N7O7S3/c1-22(26-9-3-12(30)13(31)4-10(9)27-22)39-6-8-5-37-19-15(18(33)29(19)16(8)20(34)35)25-17(32)14(28-36-2)11-7-38-21(23)24-11/h3-4,7,15,19,26-27H,5-6H2,1-2H3,(H2,23,24)(H,25,32)(H,34,35)/b28-14+