4-acetamido-3-(cyclohexylsulfanylcarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-acetamido-3-(cyclohexylsulfanylcarbonylamino)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-acetamido-3-(cyclohexylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-acetamido-3-[[(cyclohexylthio)-oxomethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-acetamido-3-(cyclohexylsulfanylcarbonylamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-acetamido-3-[(cyclohexylthio)carbonylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H21N3O5S2 MolecularWeight: 399.48504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(=C(N2C(S1)CC2=O)C(=O)O)NC(=O)SC3CCCCC3

Isomeric SMILES

CC(=O)NC1C(=C(N2C(S1)CC2=O)C(=O)O)NC(=O)SC3CCCCC3

InChI

InChI=1S/C16H21N3O5S2/c1-8(20)17-14-12(18-16(24)25-9-5-3-2-4-6-9)13(15(22)23)19-10(21)7-11(19)26-14/h9,11,14H,2-7H2,1H3,(H,17,20)(H,18,24)(H,22,23)