3-[[(2Z)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-2-carboxylic acid

Systemtic Name: 3-[[(2Z)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-ethoxyimino-ethanoyl]amino]-4-oxidanylidene-azetidine-2-carboxylic acid Openeye Name: 3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-ethoxyimino-acetyl]amino]-4-oxo-azetidine-2-carboxylic acid CAS Name: 3-[[(2Z)-2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-2-ethoxyimino-1-oxoethyl]amino]-4-oxo-2-azetidinecarboxylic acid IUPAC Name: 3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-ethoxyiminoacetyl]amino]-4-oxoazetidine-2-carboxylic acid Traditional Name: 3-[[(2Z)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-ethyloximino-acetyl]amino]-4-keto-azetidine-2-carboxylic acid Formula: C13H14ClN5O6S MolecularWeight: 403.79816

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Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C1=CSC(=N1)NC(=O)CCl)C(=O)NC2C(NC2=O)C(=O)O

Isomeric SMILES

CCO/N=C(/C1=CSC(=N1)NC(=O)CCl)\C(=O)NC2C(NC2=O)C(=O)O

InChI

InChI=1S/C13H14ClN5O6S/c1-2-25-19-7(5-4-26-13(15-5)16-6(20)3-14)10(21)17-8-9(12(23)24)18-11(8)22/h4,8-9H,2-3H2,1H3,(H,17,21)(H,18,22)(H,23,24)(H,15,16,20)/b19-7-