(2S)-3-[[(2Z)-2-(3-azanylbutoxyimino)-2-thiophen-2-yl-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: (2S)-3-[[(2Z)-2-(3-azanylbutoxyimino)-2-thiophen-2-yl-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: (2S)-3-[[(2Z)-2-(3-aminobutoxyimino)-2-(2-thienyl)acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: (2S)-3-[[(2Z)-2-(3-aminobutoxyimino)-1-oxo-2-thiophen-2-ylethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: (2S)-3-[[(2Z)-2-(3-aminobutoxyimino)-2-thiophen-2-ylacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: (4S)-3-[[(2Z)-2-(3-aminobutyloximino)-2-(2-thienyl)acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C14H20N4O6S2 MolecularWeight: 404.4618

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCCC(C)N)C2=CC=CS2

Isomeric SMILES

C[C@H]1C(C(=O)N1S(=O)(=O)O)NC(=O)/C(=N/OCCC(C)N)/C2=CC=CS2

InChI

InChI=1S/C14H20N4O6S2/c1-8(15)5-6-24-17-12(10-4-3-7-25-10)13(19)16-11-9(2)18(14(11)20)26(21,22)23/h3-4,7-9,11H,5-6,15H2,1-2H3,(H,16,19)(H,21,22,23)/b17-12+/t8?,9-,11?/m0/s1