methyl (2S)-4-piperidin-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxylate

Systemtic Name: methyl (2S)-4-piperidin-4-ylcarbonyl-1-thiophen-2-ylcarbonyl-piperazine-2-carboxylate Openeye Name: methyl (2S)-4-(piperidine-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate CAS Name: (2S)-4-[oxo(4-piperidinyl)methyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-4-(piperidine-4-carbonyl)-1-(thiophene-2-carbonyl)piperazine-2-carboxylate Traditional Name: (2S)-4-isonipecotoyl-1-(2-thenoyl)piperazine-2-carboxylic acid methyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3CCNCC3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2=CC=CS2)C(=O)C3CCNCC3

InChI

InChI=1S/C17H23N3O4S/c1-24-17(23)13-11-19(15(21)12-4-6-18-7-5-12)8-9-20(13)16(22)14-3-2-10-25-14/h2-3,10,12-13,18H,4-9,11H2,1H3/t13-/m0/s1