(2S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[5-(4-ethylphenyl)-4-thieno[2,3-d]pyrimidinyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxylate Formula: C19H18N3O2S- MolecularWeight: 352.43012

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCCC4C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CCC[C@H]4C(=O)[O-]

InChI

InChI=1S/C19H19N3O2S/c1-2-12-5-7-13(8-6-12)14-10-25-18-16(14)17(20-11-21-18)22-9-3-4-15(22)19(23)24/h5-8,10-11,15H,2-4,9H2,1H3,(H,23,24)/p-1/t15-/m0/s1