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

Systemtic Name: sodium 3-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-phenylmethoxyimino-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonate Openeye Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-benzyloxyimino-acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonate CAS Name: sodium 3-[[(2Z)-2-(2-amino-4-thiazolyl)-1-oxo-2-phenylmethoxyiminoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonate IUPAC Name: sodium 3-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-phenylmethoxyiminoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonate Traditional Name: sodium 3-[[(2Z)-2-(2-aminothiazol-4-yl)-2-benzyloximino-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(=NOCC2=CC=CC=C2)C3=CSC(=N3)N.[Na+]

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)[O-])NC(=O)/C(=N\OCC2=CC=CC=C2)/C3=CSC(=N3)N.[Na+]

InChI

InChI=1S/C17H17N5O8S2.Na/c1-29-16(25)13-12(15(24)22(13)32(26,27)28)20-14(23)11(10-8-31-17(18)19-10)21-30-7-9-5-3-2-4-6-9;/h2-6,8,12-13H,7H2,1H3,(H2,18,19)(H,20,23)(H,26,27,28);/q;+1/p-1/b21-11-;