3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-oxidanylidene-1-[2-[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]propan-2-yl]oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-[2-methyl-1-oxidanylidene-1-[2-[(E)-(5-oxidanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]propan-2-yl]oxyimino-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[2-[(E)-(5-hydroxy-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-1,1-dimethyl-2-oxo-ethoxy]imino-acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-2-[1-[[(E)-(5-hydroxy-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]-2-methyl-1-oxopropan-2-yl]oxyimino-1-oxoethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-[1-[2-[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-methyl-1-oxopropan-2-yl]oxyiminoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-[2-[N'-[(E)-(5-hydroxy-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]-2-keto-1,1-dimethyl-ethyl]oximino-acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C20H23N7O9S2 MolecularWeight: 569.56812

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOC(C)(C)C(=O)NNC=C2C=CC=C(C2=O)O)C3=CSC(=N3)N

Isomeric SMILES

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OC(C)(C)C(=O)NN/C=C/2\C=CC=C(C2=O)O)/C3=CSC(=N3)N

InChI

InChI=1S/C20H23N7O9S2/c1-9-13(17(31)27(9)38(33,34)35)24-16(30)14(11-8-37-19(21)23-11)26-36-20(2,3)18(32)25-22-7-10-5-4-6-12(28)15(10)29/h4-9,13,22,28H,1-3H3,(H2,21,23)(H,24,30)(H,25,32)(H,33,34,35)/b10-7+,26-14+