2-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: 2-[2-(3-cyclopentyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: 2-[[2-(3-cyclopentyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[(3-cyclopentyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-(3-cyclopentyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(3-cyclopentyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]acetate Formula: C17H20N3O4S2- MolecularWeight: 394.4884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC(=O)[O-])C3CCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NCC(=O)[O-])C3CCCC3)C

InChI

InChI=1S/C17H21N3O4S2/c1-9-10(2)26-15-14(9)16(24)20(11-5-3-4-6-11)17(19-15)25-8-12(21)18-7-13(22)23/h11H,3-8H2,1-2H3,(H,18,21)(H,22,23)/p-1