7-[ethanoyl-(1-methylimidazol-2-yl)sulfanyl-amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[ethanoyl-(1-methylimidazol-2-yl)sulfanyl-amino]-3-methoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[acetyl-(1-methylimidazol-2-yl)sulfanyl-amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[acetyl-[(1-methyl-2-imidazolyl)thio]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[acetyl-(1-methylimidazol-2-yl)sulfanylamino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[acetyl-[(1-methylimidazol-2-yl)thio]amino]-8-keto-3-methoxy-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H16N4O5S2 MolecularWeight: 384.43064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1C2N(C1=O)C(=C(CS2)OC)C(=O)O)SC3=NC=CN3C

Isomeric SMILES

CC(=O)N(C1C2N(C1=O)C(=C(CS2)OC)C(=O)O)SC3=NC=CN3C

InChI

InChI=1S/C14H16N4O5S2/c1-7(19)18(25-14-15-4-5-16(14)2)10-11(20)17-9(13(21)22)8(23-3)6-24-12(10)17/h4-5,10,12H,6H2,1-3H3,(H,21,22)