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

Systemtic Name: (2S)-3-[[(2Z)-2-(3-azanyl-4-oxidanyl-butoxy)imino-2-thiophen-2-yl-ethanoyl]amino]-2-methyl-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: (2S)-3-[[(2Z)-2-(3-amino-4-hydroxy-butoxy)imino-2-(2-thienyl)acetyl]amino]-2-methyl-4-oxo-azetidine-1-sulfonic acid CAS Name: (2S)-3-[[(2Z)-2-(3-amino-4-hydroxybutoxy)imino-1-oxo-2-thiophen-2-ylethyl]amino]-2-methyl-4-oxo-1-azetidinesulfonic acid IUPAC Name: (2S)-3-[[(2Z)-2-(3-amino-4-hydroxybutoxy)imino-2-thiophen-2-ylacetyl]amino]-2-methyl-4-oxoazetidine-1-sulfonic acid Traditional Name: (4S)-3-[[(2Z)-2-(3-amino-4-hydroxy-butyl)oximino-2-(2-thienyl)acetyl]amino]-2-keto-4-methyl-azetidine-1-sulfonic acid Formula: C14H20N4O7S2 MolecularWeight: 420.4612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O7S2/c1-8-11(14(21)18(8)27(22,23)24)16-13(20)12(10-3-2-6-26-10)17-25-5-4-9(15)7-19/h2-3,6,8-9,11,19H,4-5,7,15H2,1H3,(H,16,20)(H,22,23,24)/b17-12+/t8-,9?,11?/m0/s1