(5-oxidanylidene-2H-thiophen-3-yl)sulfanylmethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (5-oxidanylidene-2H-thiophen-3-yl)sulfanylmethyl 8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (5-oxo-2H-thiophen-3-yl)sulfanylmethyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(5-oxo-2H-thiophen-3-yl)thio]methyl ester IUPAC Name: (5-oxo-2H-thiophen-3-yl)sulfanylmethyl 8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(5-keto-2H-thiophen-3-yl)thio]methyl ester Formula: C20H18N2O5S3 MolecularWeight: 462.56232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCSC4=CC(=O)SC4

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OCSC4=CC(=O)SC4

InChI

InChI=1S/C20H18N2O5S3/c23-15(8-12-4-2-1-3-5-12)21-17-18(25)22-14(6-7-28-19(17)22)20(26)27-11-30-13-9-16(24)29-10-13/h1-6,9,17,19H,7-8,10-11H2,(H,21,23)