4-[[2-azaniumyl-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-methoxycarbonyl-azetidine-2-sulfonate

Systemtic Name: 4-[[2-azaniumyl-2-(2-azanyl-1,3-thiazol-4-yl)ethanoyl]amino]-3-methoxycarbonyl-azetidine-2-sulfonate Openeye Name: 4-[[2-(2-aminothiazol-4-yl)-2-azaniumyl-acetyl]amino]-3-methoxycarbonyl-azetidine-2-sulfonate CAS Name: 4-[[2-(2-amino-4-thiazolyl)-2-ammonio-1-oxoethyl]amino]-3-methoxycarbonyl-2-azetidinesulfonate IUPAC Name: 4-[[2-(2-amino-1,3-thiazol-4-yl)-2-azaniumylacetyl]amino]-3-methoxycarbonylazetidine-2-sulfonate Traditional Name: 4-[[2-(2-aminothiazol-4-yl)-2-ammonio-acetyl]amino]-3-carbomethoxy-azetidine-2-sulfonate Formula: C10H15N5O6S2 MolecularWeight: 365.386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC1S(=O)(=O)[O-])NC(=O)C(C2=CSC(=N2)N)[NH3+]

Isomeric SMILES

COC(=O)C1C(NC1S(=O)(=O)[O-])NC(=O)C(C2=CSC(=N2)N)[NH3+]

InChI

InChI=1S/C10H15N5O6S2/c1-21-9(17)4-6(15-8(4)23(18,19)20)14-7(16)5(11)3-2-22-10(12)13-3/h2,4-6,8,15H,11H2,1H3,(H2,12,13)(H,14,16)(H,18,19,20)