[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate CAS Name: 2-(4-thieno[2,3-d]pyrimidinylthio)acetic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate Traditional Name: 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)COC(=O)CSC2=NC=NC3=C2C=CS3

InChI

InChI=1S/C16H18N4O4S2/c17-14(23)10-1-4-20(5-2-10)12(21)7-24-13(22)8-26-16-11-3-6-25-15(11)18-9-19-16/h3,6,9-10H,1-2,4-5,7-8H2,(H2,17,23)