methyl 1-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-(4-oxidanylidene-3-prop-2-enyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(3-allyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(3-allyl-4-keto-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]isonipecotic acid methyl ester Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)CSC2=NC3=C(C=CS3)C(=O)N2CC=C

InChI

InChI=1S/C18H21N3O4S2/c1-3-7-21-16(23)13-6-10-26-15(13)19-18(21)27-11-14(22)20-8-4-12(5-9-20)17(24)25-2/h3,6,10,12H,1,4-5,7-9,11H2,2H3