(2S,3S,5S)-3-[(5-ethoxycarbonyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Systemtic Name: (2S,3S,5S)-3-[(5-ethoxycarbonyl-1,2,3-triazol-1-yl)methyl]-3-methyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Openeye Name: (2S,3S,5S)-3-[(5-ethoxycarbonyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid CAS Name: (2S,3S,5S)-3-[(5-ethoxycarbonyl-1-triazolyl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid IUPAC Name: (2S,3S,5S)-3-[(5-ethoxycarbonyltriazol-1-yl)methyl]-3-methyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Traditional Name: (2S,3S,5S)-3-[(5-carbethoxytriazol-1-yl)methyl]-4,4,7-triketo-3-methyl-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid Formula: C13H16N4O7S MolecularWeight: 372.35374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=NN1CC2(C(N3C(S2(=O)=O)CC3=O)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=CN=NN1C[C@]2([C@@H](N3[C@@H](S2(=O)=O)CC3=O)C(=O)O)C

InChI

InChI=1S/C13H16N4O7S/c1-3-24-12(21)7-5-14-15-16(7)6-13(2)10(11(19)20)17-8(18)4-9(17)25(13,22)23/h5,9-10H,3-4,6H2,1-2H3,(H,19,20)/t9-,10-,13-/m0/s1