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

Systemtic Name: ethyl 1-[2-(3-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(3-methyl-4-oxo-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-keto-3-methyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C24H27N3O4S2 MolecularWeight: 485.61888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2C

InChI

InChI=1S/C24H27N3O4S2/c1-4-31-23(30)17-10-12-27(13-11-17)21(28)15(2)33-24-25-20-19(22(29)26(24)3)18(14-32-20)16-8-6-5-7-9-16/h5-9,14-15,17H,4,10-13H2,1-3H3