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

Systemtic Name: ethyl 1-[2-(3-ethyl-4-oxidanylidene-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-ethyl-4-oxo-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]sulfanylacetyl]piperidine-3-carboxylate CAS Name: 1-[2-[(3-ethyl-4-oxo-5-thiophen-2-yl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-ethyl-4-oxo-5-thiophen-2-ylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[3-ethyl-4-keto-5-(2-thienyl)thieno[2,3-d]pyrimidin-2-yl]thio]acetyl]nipecotic acid ethyl ester Formula: C22H25N3O4S3 MolecularWeight: 491.6466

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCC(C3)C(=O)OCC)SC=C2C4=CC=CS4

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)N3CCCC(C3)C(=O)OCC)SC=C2C4=CC=CS4

InChI

InChI=1S/C22H25N3O4S3/c1-3-25-20(27)18-15(16-8-6-10-30-16)12-31-19(18)23-22(25)32-13-17(26)24-9-5-7-14(11-24)21(28)29-4-2/h6,8,10,12,14H,3-5,7,9,11,13H2,1-2H3