3-(chloromethyl)-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; ethanamide

Systemtic Name: 3-(chloromethyl)-8-oxidanylidene-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; ethanamide Openeye Name: acetamide; 3-(chloromethyl)-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: acetamide; 3-(chloromethyl)-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: acetamide; 3-(chloromethyl)-8-oxo-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: acetamide; 3-(chloromethyl)-8-keto-7-phenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H17ClN2O4S MolecularWeight: 368.83518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N.C1C(=C(N2C(S1)C(C2=O)C3=CC=CC=C3)C(=O)O)CCl

Isomeric SMILES

CC(=O)N.C1C(=C(N2C(S1)C(C2=O)C3=CC=CC=C3)C(=O)O)CCl

InChI

InChI=1S/C14H12ClNO3S.C2H5NO/c15-6-9-7-20-13-10(8-4-2-1-3-5-8)12(17)16(13)11(9)14(18)19;1-2(3)4/h1-5,10,13H,6-7H2,(H,18,19);1H3,(H2,3,4)