3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate; ethanedioic acid

Systemtic Name: 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate; ethanedioic acid Openeye Name: 3-(diethylamino)propyl 1-phenylsulfanylcyclopentanecarboxylate; oxalic acid CAS Name: oxalic acid; 1-(phenylthio)-1-cyclopentanecarboxylic acid 3-(diethylamino)propyl ester IUPAC Name: 3-(diethylamino)propyl 1-phenylsulfanylcyclopentane-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-(phenylthio)cyclopentanecarboxylic acid 3-(diethylamino)propyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCOC(=O)C1(CCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCCOC(=O)C1(CCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H29NO2S.C2H2O4/c1-3-20(4-2)15-10-16-22-18(21)19(13-8-9-14-19)23-17-11-6-5-7-12-17;3-1(4)2(5)6/h5-7,11-12H,3-4,8-10,13-16H2,1-2H3;(H,3,4)(H,5,6)