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

Systemtic Name: (3S)-1-(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Openeye Name: (3S)-1-(6-ethoxycarbonyl-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid CAS Name: (3S)-1-(6-ethoxycarbonyl-2,5-dimethyl-4-thieno[2,3-d]pyrimidinyl)-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-(6-ethoxycarbonyl-2,5-dimethylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxylic acid Traditional Name: (3S)-1-(6-carbethoxy-2,5-dimethyl-thieno[2,3-d]pyrimidin-4-yl)nipecotic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCCC(C3)C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC[C@@H](C3)C(=O)O)C

InChI

InChI=1S/C17H21N3O4S/c1-4-24-17(23)13-9(2)12-14(18-10(3)19-15(12)25-13)20-7-5-6-11(8-20)16(21)22/h11H,4-8H2,1-3H3,(H,21,22)/t11-/m0/s1