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

Systemtic Name: sodium 3-[[2-(2-azanyl-1,3-thiazol-4-yl)-2-benzamido-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[2-(2-aminothiazol-4-yl)-2-benzamido-acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[2-(2-amino-4-thiazolyl)-2-benzamido-1-oxoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[2-(2-amino-1,3-thiazol-4-yl)-2-benzamidoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[2-(2-aminothiazol-4-yl)-2-benzamido-acetyl]amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonate Formula: C17H16N5NaO8S2 MolecularWeight: 505.45741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CSC(=N2)N)NC(=O)C3=CC=CC=C3.[Na+]

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)C(C2=CSC(=N2)N)NC(=O)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H17N5O8S2.Na/c1-30-16(26)12-11(15(25)22(12)32(27,28)29)21-14(24)10(9-7-31-17(18)19-9)20-13(23)8-5-3-2-4-6-8;/h2-7,10-12H,1H3,(H2,18,19)(H,20,23)(H,21,24)(H,27,28,29);/q;+1/p-1