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

Systemtic Name: 3-[[(2E)-2-(2-azanyl-1,3-thiazol-4-yl)-2-prop-2-enoxyimino-ethanoyl]amino]-2-methoxycarbonyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[(2E)-2-allyloxyimino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[(2E)-2-(2-amino-4-thiazolyl)-1-oxo-2-prop-2-enoxyiminoethyl]amino]-2-methoxycarbonyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-prop-2-enoxyiminoacetyl]amino]-2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[(2E)-2-allyloximino-2-(2-aminothiazol-4-yl)acetyl]amino]-2-carbomethoxy-4-keto-azetidine-1-sulfonic acid Formula: C13H15N5O8S2 MolecularWeight: 433.4169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCC=C)C2=CSC(=N2)N

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OCC=C)/C2=CSC(=N2)N

InChI

InChI=1S/C13H15N5O8S2/c1-3-4-26-17-7(6-5-27-13(14)15-6)10(19)16-8-9(12(21)25-2)18(11(8)20)28(22,23)24/h3,5,8-9H,1,4H2,2H3,(H2,14,15)(H,16,19)(H,22,23,24)/b17-7+