ethyl 3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: ethyl 3-(dimethylcarbamoyloxymethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: ethyl 3-(dimethylcarbamoyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[dimethylamino(oxo)methoxy]methyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(dimethylcarbamoyloxymethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(dimethylcarbamoyloxymethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid ethyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)COC(=O)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)COC(=O)N(C)C

InChI

InChI=1S/C21H25N3O6S/c1-4-29-20(27)17-14(11-30-21(28)23(2)3)12-31-19-16(18(26)24(17)19)22-15(25)10-13-8-6-5-7-9-13/h5-9,16,19H,4,10-12H2,1-3H3,(H,22,25)