[2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2-phenylphenyl)amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-(2-phenylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylanilino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-keto-2-(2-phenylanilino)ethyl] ester Formula: C22H17N3O3S2 MolecularWeight: 435.51868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)COC(=O)CSC3=NC=NC4=C3C=CS4

InChI

InChI=1S/C22H17N3O3S2/c26-19(25-18-9-5-4-8-16(18)15-6-2-1-3-7-15)12-28-20(27)13-30-22-17-10-11-29-21(17)23-14-24-22/h1-11,14H,12-13H2,(H,25,26)