(4-nitrophenyl)methyl (5S)-3-methanethioyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (5S)-3-methanethioyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl (5S)-3-methanethioyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: (5S)-3-methanethioyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (5S)-3-methanethioyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: (5S)-7-keto-6-[(2-phenylacetyl)amino]-3-thioformyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C22H17N3O6S2 MolecularWeight: 483.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(=C(S3)C=S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2[C@H]3N(C2=O)C(=C(S3)C=S)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6S2/c26-17(10-13-4-2-1-3-5-13)23-18-20(27)24-19(16(12-32)33-21(18)24)22(28)31-11-14-6-8-15(9-7-14)25(29)30/h1-9,12,18,21H,10-11H2,(H,23,26)/t18?,21-/m0/s1