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

Systemtic Name: 7-[(2-butanoyloxy-2-phenyl-ethanoyl)amino]-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-butanoyloxy-2-phenyl-acetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-methyl-8-oxo-7-[[1-oxo-2-(1-oxobutoxy)-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-butanoyloxy-2-phenylacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-butyryloxy-2-phenyl-acetyl)amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-3-7-13(23)28-16(12-8-5-4-6-9-12)17(24)21-14-18(25)22-15(20(26)27)11(2)10-29-19(14)22/h4-6,8-9,14,16,19H,3,7,10H2,1-2H3,(H,21,24)(H,26,27)