2-hydroxyethyl 1-(aminocarbonyloxymethyl)-7-oxidanylidene-3-(phenylcarbamoyloxymethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 2-hydroxyethyl 1-(aminocarbonyloxymethyl)-7-oxidanylidene-3-(phenylcarbamoyloxymethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 2-hydroxyethyl 1-(carbamoyloxymethyl)-7-oxo-3-(phenylcarbamoyloxymethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[anilino(oxo)methoxy]methyl]-1-(carbamoyloxymethyl)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-hydroxyethyl ester IUPAC Name: 2-hydroxyethyl 1-(carbamoyloxymethyl)-7-oxo-3-(phenylcarbamoyloxymethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 1-(carbamoyloxymethyl)-7-keto-3-(phenylcarbamoyloxymethyl)-4-thia-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid 2-hydroxyethyl ester Formula: C18H20N3O8S+ MolecularWeight: 438.4317

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Descriptors Computed from Structure

Canonical SMILES:

C1C2[N+](C1=O)(C(=C(S2)COC(=O)NC3=CC=CC=C3)C(=O)OCCO)COC(=O)N

Isomeric SMILES

C1C2[N+](C1=O)(C(=C(S2)COC(=O)NC3=CC=CC=C3)C(=O)OCCO)COC(=O)N

InChI

InChI=1S/C18H19N3O8S/c19-17(25)29-10-21-13(23)8-14(21)30-12(15(21)16(24)27-7-6-22)9-28-18(26)20-11-4-2-1-3-5-11/h1-5,14,22H,6-10H2,(H2-,19,20,25,26)/p+1