ethyl 1-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=CS3)C(=O)N2C

InChI

InChI=1S/C18H23N3O4S2/c1-4-25-17(24)12-5-8-21(9-6-12)15(22)11(2)27-18-19-14-13(7-10-26-14)16(23)20(18)3/h7,10-12H,4-6,8-9H2,1-3H3