phenacyl 7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: phenacyl 7-azanyl-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: phenacyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-amino-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid phenacyl ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N2O4S/c1-9-8-23-15-12(17)14(20)18(15)13(9)16(21)22-7-11(19)10-5-3-2-4-6-10/h2-6,12,15H,7-8,17H2,1H3