1-[1-(2-azanylethanoyloxy)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-azetidin-1-ium-1-sulfonic acid

Systemtic Name: 1-[1-(2-azanylethanoyloxy)-2-methoxy-2-oxidanylidene-1-phenyl-ethyl]-3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanylidene-azetidin-1-ium-1-sulfonic acid Openeye Name: 1-[1-(2-aminoacetyl)oxy-2-methoxy-2-oxo-1-phenyl-ethyl]-3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methoxyimino-acetyl]amino]-2-oxo-azetidin-1-ium-1-sulfonic acid CAS Name: 1-[1-(2-amino-1-oxoethoxy)-2-methoxy-2-oxo-1-phenylethyl]-3-[[(2E)-2-(2-amino-4-thiazolyl)-2-methoxyimino-1-oxoethyl]amino]-2-oxo-1-azetidin-1-iumsulfonic acid IUPAC Name: 1-[1-(2-aminoacetyl)oxy-2-methoxy-2-oxo-1-phenylethyl]-3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-2-oxoazetidin-1-ium-1-sulfonic acid Traditional Name: 3-[[(2E)-2-(2-aminothiazol-4-yl)-2-methyloximino-acetyl]amino]-1-(1-glycyloxy-2-keto-2-methoxy-1-phenyl-ethyl)-2-keto-azetidin-1-ium-1-sulfonic acid Formula: C20H23N6O10S2+ MolecularWeight: 571.56082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)([N+]2(CC(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)S(=O)(=O)O)OC(=O)CN

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)([N+]2(CC(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)N)S(=O)(=O)O)OC(=O)CN

InChI

InChI=1S/C20H22N6O10S2/c1-34-18(30)20(36-14(27)8-21,11-6-4-3-5-7-11)26(38(31,32)33)9-12(17(26)29)23-16(28)15(25-35-2)13-10-37-19(22)24-13/h3-7,10,12H,8-9,21H2,1-2H3,(H3-,22,23,24,28,31,32,33)/p+1/b25-15+