(4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-6-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxidanylidene-6-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-6-isopropylidene-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-(ethylthio)-7-oxo-6-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-ethylsulfanyl-7-oxo-6-propan-2-ylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-(ethylthio)-6-isopropylidene-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(N2C(S1)C(=C(C)C)C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCSC1=C(N2C(S1)C(=C(C)C)C2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O5S2/c1-4-26-18-14(19-15(21)13(10(2)3)16(19)27-18)17(22)25-9-11-5-7-12(8-6-11)20(23)24/h5-8,16H,4,9H2,1-3H3