7-[3-(heptan-4-ylideneamino)oxypropanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-[3-(heptan-4-ylideneamino)oxypropanoylamino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[3-(1-propylbutylideneamino)oxypropanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[3-(heptan-4-ylideneamino)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-(heptan-4-ylideneamino)oxypropanoylamino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[3-(1-propylbutylideneamino)oxypropanoylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H27N3O5S MolecularWeight: 397.48908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCCC(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O)CCC

Isomeric SMILES

CCCC(=NOCCC(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O)CCC

InChI

InChI=1S/C18H27N3O5S/c1-4-6-12(7-5-2)20-26-9-8-13(22)19-14-16(23)21-15(18(24)25)11(3)10-27-17(14)21/h14,17H,4-10H2,1-3H3,(H,19,22)(H,24,25)