3-methyl-8-oxidanylidene-7-[(2-pentanoyloxy-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-pentanoyloxy-2-phenyl-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[(2-pentanoyloxy-2-phenyl-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[[1-oxo-2-(1-oxopentoxy)-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(2-pentanoyloxy-2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(2-phenyl-2-valeryloxy-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H24N2O6S MolecularWeight: 432.49006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

Isomeric SMILES

CCCCC(=O)OC(C1=CC=CC=C1)C(=O)NC2C3N(C2=O)C(=C(CS3)C)C(=O)O

InChI

InChI=1S/C21H24N2O6S/c1-3-4-10-14(24)29-17(13-8-6-5-7-9-13)18(25)22-15-19(26)23-16(21(27)28)12(2)11-30-20(15)23/h5-9,15,17,20H,3-4,10-11H2,1-2H3,(H,22,25)(H,27,28)