1-[2-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(6-methoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-[(6-methoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(6-methoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-[(6-carbomethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetyl]isonipecotic acid Formula: C18H21N3O5S2 MolecularWeight: 423.50644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCC(CC3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=NC(=N2)C)SCC(=O)N3CCC(CC3)C(=O)O)C(=O)OC

InChI

InChI=1S/C18H21N3O5S2/c1-9-13-15(19-10(2)20-16(13)28-14(9)18(25)26-3)27-8-12(22)21-6-4-11(5-7-21)17(23)24/h11H,4-8H2,1-3H3,(H,23,24)