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

Systemtic Name: 3-methyl-8-oxidanylidene-7-[(2-phenyl-2-propanoyloxy-ethanoyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-methyl-8-oxo-7-[(2-phenyl-2-propanoyloxy-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-oxopropoxy)-2-phenylethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-methyl-8-oxo-7-[(2-phenyl-2-propanoyloxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-methyl-7-[(2-phenyl-2-propionyloxy-acetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6S/c1-3-12(22)27-15(11-7-5-4-6-8-11)16(23)20-13-17(24)21-14(19(25)26)10(2)9-28-18(13)21/h4-8,13,15,18H,3,9H2,1-2H3,(H,20,23)(H,25,26)