(4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(2-aminophenyl)thio]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-(2-aminophenyl)sulfanyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(2-aminophenyl)thio]-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(S2)SC3=CC=CC=C3N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2N(C1=O)C(=C(S2)SC3=CC=CC=C3N)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S2/c20-13-3-1-2-4-14(13)28-19-17(21-15(23)9-16(21)29-19)18(24)27-10-11-5-7-12(8-6-11)22(25)26/h1-8,16H,9-10,20H2