(2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid [2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: (2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid (2-keto-1-phenyl-2-pyrrolidino-ethyl) ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C21H21N3O4S/c25-17(8-12-24-14-22-19-16(20(24)26)9-13-29-19)28-18(15-6-2-1-3-7-15)21(27)23-10-4-5-11-23/h1-3,6-7,9,13-14,18H,4-5,8,10-12H2