(5S)-6-methoxy-7-oxidanylidene-3-phenyl-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: (5S)-6-methoxy-7-oxidanylidene-3-phenyl-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: (5S)-6-methoxy-7-oxo-3-phenyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: (5S)-6-methoxy-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-3-phenyl-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: (5S)-6-methoxy-7-oxo-3-phenyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: (5S)-7-keto-6-methoxy-3-phenyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2N(C1=O)C(=C(S2)C3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1([C@H]2N(C1=O)C(=C(S2)C3=CC=CC=C3)C(=O)O)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O5S/c1-28-21(22-15(24)12-13-8-4-2-5-9-13)19(27)23-16(18(25)26)17(29-20(21)23)14-10-6-3-7-11-14/h2-11,20H,12H2,1H3,(H,22,24)(H,25,26)/t20-,21?/m0/s1