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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-12(2)13-5-3-4-6-15(13)22-16(23)9-25-17(24)10-27-19-14-7-8-26-18(14)20-11-21-19/h3-8,11-12H,9-10H2,1-2H3,(H,22,23)