4-[(2-cyclohexyl-2-oxidanyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-[(2-cyclohexyl-2-oxidanyl-ethanoyl)amino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[(2-cyclohexyl-2-hydroxy-acetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(2-cyclohexyl-2-hydroxy-1-oxoethyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[(2-cyclohexyl-2-hydroxyacetyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(2-cyclohexyl-2-hydroxy-acetyl)amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)NC2C=C(N3C(S2)CC3=O)C(=O)O)O

Isomeric SMILES

C1CCC(CC1)C(C(=O)NC2C=C(N3C(S2)CC3=O)C(=O)O)O

InChI

InChI=1S/C15H20N2O5S/c18-11-7-12-17(11)9(15(21)22)6-10(23-12)16-14(20)13(19)8-4-2-1-3-5-8/h6,8,10,12-13,19H,1-5,7H2,(H,16,20)(H,21,22)