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

Systemtic Name: ethyl 1-[2-(4-oxidanylidene-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(4-oxo-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-3,5-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-oxo-3,5-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[(4-keto-3,5-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]nipecotic acid ethyl ester Formula: C28H27N3O4S2 MolecularWeight: 533.66168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C28H27N3O4S2/c1-2-35-27(34)20-12-9-15-30(16-20)23(32)18-37-28-29-25-24(22(17-36-25)19-10-5-3-6-11-19)26(33)31(28)21-13-7-4-8-14-21/h3-8,10-11,13-14,17,20H,2,9,12,15-16,18H2,1H3