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

Systemtic Name: (2S)-3-[[(2Z)-2-(3-azanylpropoxyimino)-2-thiophen-2-yl-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: (2S)-3-[[(2Z)-2-(3-aminopropoxyimino)-2-(2-thienyl)acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: (2S)-3-[[(2Z)-2-(3-aminopropoxyimino)-1-oxo-2-thiophen-2-ylethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: (2S)-3-[[(2Z)-2-(3-aminopropoxyimino)-2-thiophen-2-ylacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: (4S)-3-[[(2Z)-2-(3-aminopropyloximino)-2-(2-thienyl)acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C13H18N4O6S2 MolecularWeight: 390.43522

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(=O)N1S(=O)(=O)O)NC(=O)C(=NOCCCN)C2=CC=CS2

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O6S2/c1-8-10(13(19)17(8)25(20,21)22)15-12(18)11(9-4-2-7-24-9)16-23-6-3-5-14/h2,4,7-8,10H,3,5-6,14H2,1H3,(H,15,18)(H,20,21,22)/b16-11+/t8-,10?/m0/s1