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

Systemtic Name: ethyl 1-[2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid ethyl ester Formula: C25H27N3O4S2 MolecularWeight: 497.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C(=CS3)C4CC4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C25H27N3O4S2/c1-2-32-24(31)17-10-12-27(13-11-17)20(29)15-34-25-26-22-21(19(14-33-22)16-8-9-16)23(30)28(25)18-6-4-3-5-7-18/h3-7,14,16-17H,2,8-13,15H2,1H3