7-azanyl-3-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-8-oxidanylidene-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-3-(2-methyl-6-oxidanylidene-pyran-4-yl)sulfanyl-8-oxidanylidene-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-(2-methyl-6-oxo-pyran-4-yl)sulfanyl-8-oxo-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(2-methyl-6-oxo-4-pyranyl)thio]-8-oxo-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(2-methyl-6-oxopyran-4-yl)sulfanyl-8-oxo-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(2-keto-6-methyl-pyran-4-yl)thio]-4,7-diphenyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H20N2O5S2 MolecularWeight: 492.5667

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=O)O1)SC2=C(N3C(C(C3=O)(C4=CC=CC=C4)N)SC2C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=O)O1)SC2=C(N3C(C(C3=O)(C4=CC=CC=C4)N)SC2C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C25H20N2O5S2/c1-14-12-17(13-18(28)32-14)33-21-19(22(29)30)27-23(31)25(26,16-10-6-3-7-11-16)24(27)34-20(21)15-8-4-2-5-9-15/h2-13,20,24H,26H2,1H3,(H,29,30)