8-oxidanylidene-7-(2-phenylethanoylamino)-3-(4-thiophen-2-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-(2-phenylethanoylamino)-3-(4-thiophen-2-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-[4-(2-thienyl)phenyl]sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-[(4-thiophen-2-ylphenyl)thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(2-phenylacetyl)amino]-3-(4-thiophen-2-ylphenyl)sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-7-[(2-phenylacetyl)amino]-3-[[4-(2-thienyl)phenyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H20N2O4S3 MolecularWeight: 508.6323

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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=C(C=C4)C5=CC=CS5

Isomeric SMILES

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

InChI

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