7-[3-(cyclohexylideneamino)oxypropanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[3-(cyclohexylideneamino)oxypropanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[3-(cyclohexylideneamino)oxypropanoylamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[3-(cyclohexylideneamino)oxy-1-oxopropyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[3-(cyclohexylideneamino)oxypropanoylamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[3-(cyclohexylideneamino)oxypropanoylamino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CCON=C3CCCCC3)SC1)C(=O)O

Isomeric SMILES

CC1=C(N2C(C(C2=O)NC(=O)CCON=C3CCCCC3)SC1)C(=O)O

InChI

InChI=1S/C17H23N3O5S/c1-10-9-26-16-13(15(22)20(16)14(10)17(23)24)18-12(21)7-8-25-19-11-5-3-2-4-6-11/h13,16H,2-9H2,1H3,(H,18,21)(H,23,24)