6-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-3,6-dihydro-2H-pyran-5-carboxylic acid

Systemtic Name: 6-methyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]carbonyl-3,6-dihydro-2H-pyran-5-carboxylic acid Openeye Name: 6-methyl-2-[4-(2-thienylmethyl)piperazine-1-carbonyl]-3,6-dihydro-2H-pyran-5-carboxylic acid CAS Name: 6-methyl-2-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-3,6-dihydro-2H-pyran-5-carboxylic acid IUPAC Name: 6-methyl-2-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]-3,6-dihydro-2H-pyran-5-carboxylic acid Traditional Name: 6-methyl-2-[4-(2-thenyl)piperazine-1-carbonyl]-3,6-dihydro-2H-pyran-5-carboxylic acid Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=CCC(O1)C(=O)N2CCN(CC2)CC3=CC=CS3)C(=O)O

Isomeric SMILES

CC1C(=CCC(O1)C(=O)N2CCN(CC2)CC3=CC=CS3)C(=O)O

InChI

InChI=1S/C17H22N2O4S/c1-12-14(17(21)22)4-5-15(23-12)16(20)19-8-6-18(7-9-19)11-13-3-2-10-24-13/h2-4,10,12,15H,5-9,11H2,1H3,(H,21,22)