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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCN1C(=O)C2CCNCC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)[C@@H]1CN(CCN1C(=O)C2CCNCC2)C(=O)C3=CC=CS3

InChI

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