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

Systemtic Name: (phenylmethyl) 7-azanyl-3-(ethylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzyl 7-amino-3-(ethylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 7-amino-3-[(ethylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 7-amino-3-(ethylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-amino-3-[(ethylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

CCSCC1=CSC2C(C(=O)N2C1C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C17H20N2O3S2/c1-2-23-9-12-10-24-16-13(18)15(20)19(16)14(12)17(21)22-8-11-6-4-3-5-7-11/h3-7,10,13-14,16H,2,8-9,18H2,1H3