2-[3-(methylsulfonylamino)-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[3-(methylsulfonylamino)-4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbenzoic acid Openeye Name: 2-[3-(methanesulfonamido)-4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-2-yl]sulfanylbenzoic acid CAS Name: 2-[[3-(methanesulfonamido)-4-oxo-6-phenyl-2-thieno[2,3-d]pyrimidinyl]thio]benzoic acid IUPAC Name: 2-[3-(methanesulfonamido)-4-oxo-6-phenylthieno[2,3-d]pyrimidin-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[4-keto-3-(methanesulfonamido)-6-phenyl-thieno[2,3-d]pyrimidin-2-yl]thio]benzoic acid Formula: C20H15N3O5S3 MolecularWeight: 473.5452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NN1C(=O)C2=C(N=C1SC3=CC=CC=C3C(=O)O)SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)NN1C(=O)C2=C(N=C1SC3=CC=CC=C3C(=O)O)SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C20H15N3O5S3/c1-31(27,28)22-23-18(24)14-11-16(12-7-3-2-4-8-12)29-17(14)21-20(23)30-15-10-6-5-9-13(15)19(25)26/h2-11,22H,1H3,(H,25,26)