ethyl (3S)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperidine-3-carboxylate CAS Name: (3S)-1-[1-oxo-2-(4-thieno[2,3-d]pyrimidinylthio)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-(2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetyl)piperidine-3-carboxylate Traditional Name: (3S)-1-[2-(thieno[2,3-d]pyrimidin-4-ylthio)acetyl]nipecotic acid ethyl ester Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H19N3O3S2/c1-2-22-16(21)11-4-3-6-19(8-11)13(20)9-24-15-12-5-7-23-14(12)17-10-18-15/h5,7,10-11H,2-4,6,8-9H2,1H3/t11-/m0/s1