methyl 1-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C22H29N3O4S2 MolecularWeight: 463.61336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC(CC3)C(=O)OC)C4CCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)N3CCC(CC3)C(=O)OC)C4CCCC4)C

InChI

InChI=1S/C22H29N3O4S2/c1-13-14(2)31-19-18(13)20(27)25(16-6-4-5-7-16)22(23-19)30-12-17(26)24-10-8-15(9-11-24)21(28)29-3/h15-16H,4-12H2,1-3H3