(5-oxidanylidene-2H-thiophen-3-yl)sulfanyl 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)sulfanyl 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)sulfanyl 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] ester IUPAC Name: (5-oxo-2H-thiophen-3-yl)sulfanyl 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] ester Formula: C19H16N2O5S3 MolecularWeight: 448.53574

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OSC4=CC(=O)SC4

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)OSC4=CC(=O)SC4

InChI

InChI=1S/C19H16N2O5S3/c22-14(8-11-4-2-1-3-5-11)20-16-17(24)21-13(6-7-27-18(16)21)19(25)26-29-12-9-15(23)28-10-12/h1-6,9,16,18H,7-8,10H2,(H,20,22)