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

Systemtic Name: methyl 1-[2-(3-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(3-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)OC)SC=C2C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)N3CCC(CC3)C(=O)OC)SC=C2C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c1-24-20(27)18-16(14-6-4-3-5-7-14)12-30-19(18)23-22(24)31-13-17(26)25-10-8-15(9-11-25)21(28)29-2/h3-7,12,15H,8-11,13H2,1-2H3