(phenylmethyl) 7-azanyl-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (phenylmethyl) 7-azanyl-3-(methylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzyl 7-amino-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[(methylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-amino-3-(methylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(methylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzyl ester Formula: C16H18N2O3S2 MolecularWeight: 350.45572

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CSCC1=C(N2C(C(C2=O)N)SC1)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2O3S2/c1-22-8-11-9-23-15-12(17)14(19)18(15)13(11)16(20)21-7-10-5-3-2-4-6-10/h2-6,12,15H,7-9,17H2,1H3