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

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(3-thiophen-2-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-[3-(2-thienyl)phenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[(3-thiophen-2-ylphenyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(3-thiophen-2-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-[[3-(2-thienyl)phenyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C25H19N2O4S3- MolecularWeight: 507.62436

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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)[O-])SC4=CC=CC(=C4)C5=CC=CS5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)[O-])SC4=CC=CC(=C4)C5=CC=CS5

InChI

InChI=1S/C25H20N2O4S3/c28-20(12-15-6-2-1-3-7-15)26-21-23(29)27-22(25(30)31)19(14-33-24(21)27)34-17-9-4-8-16(13-17)18-10-5-11-32-18/h1-11,13,21,24H,12,14H2,(H,26,28)(H,30,31)/p-1