ethyl 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-2-carboxylate

Systemtic Name: ethyl 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-2-carboxylate Openeye Name: ethyl 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxylate CAS Name: 1-[1-oxo-2-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]ethyl]-2-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-2-carboxylate Traditional Name: 1-[2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]pipecolinic acid ethyl ester Formula: C22H23N3O3S2 MolecularWeight: 441.56632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCN1C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCCN1C(=O)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S2/c1-2-28-22(27)17-10-6-7-11-25(17)18(26)13-30-21-19-16(15-8-4-3-5-9-15)12-29-20(19)23-14-24-21/h3-5,8-9,12,14,17H,2,6-7,10-11,13H2,1H3