3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methoxyethanoylamino)ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methoxyethanoylamino)ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(2-aminothiazol-4-yl)-2-[(2-methoxyacetyl)amino]acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(2-amino-4-thiazolyl)-2-[(2-methoxy-1-oxoethyl)amino]-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(2-amino-1,3-thiazol-4-yl)-2-[(2-methoxyacetyl)amino]acetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(2-aminothiazol-4-yl)-2-[(2-methoxyacetyl)amino]acetyl]amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonic acid Formula: C13H17N5O9S2 MolecularWeight: 451.43218

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)NC(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)O)C(=O)OC

Isomeric SMILES

COCC(=O)NC(C1=CSC(=N1)N)C(=O)NC2C(N(C2=O)S(=O)(=O)O)C(=O)OC

InChI

InChI=1S/C13H17N5O9S2/c1-26-3-6(19)16-7(5-4-28-13(14)15-5)10(20)17-8-9(12(22)27-2)18(11(8)21)29(23,24)25/h4,7-9H,3H2,1-2H3,(H2,14,15)(H,16,19)(H,17,20)(H,23,24,25)