methyl (6R,7R)-3-methyl-8-oxidanylidene-4-phenyl-7-(2-phenylethanoylamino)-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6R,7R)-3-methyl-8-oxidanylidene-4-phenyl-7-(2-phenylethanoylamino)-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6R,7R)-3-methyl-8-oxo-4-phenyl-7-[(2-phenylacetyl)amino]-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6R,7R)-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-4-phenyl-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6R,7R)-3-methyl-8-oxo-4-phenyl-7-[(2-phenylacetyl)amino]-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6R,7R)-8-keto-3-methyl-4-phenyl-7-[(2-phenylacetyl)amino]-5-thia-1,4-diazabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SN1C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)CC3=CC=CC=C3)SN1C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H21N3O4S/c1-14-19(22(28)29-2)24-20(27)18(23-17(26)13-15-9-5-3-6-10-15)21(24)30-25(14)16-11-7-4-8-12-16/h3-12,18,21H,13H2,1-2H3,(H,23,26)/t18-,21-/m1/s1