2-dimethylaminoethyl 1-phenylsulfanylcyclopentane-1-carboxylate; ethanedioic acid

Systemtic Name: 2-dimethylaminoethyl 1-phenylsulfanylcyclopentane-1-carboxylate; ethanedioic acid Openeye Name: 2-dimethylaminoethyl 1-phenylsulfanylcyclopentanecarboxylate; oxalic acid CAS Name: oxalic acid; 1-(phenylthio)-1-cyclopentanecarboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 1-phenylsulfanylcyclopentane-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-(phenylthio)cyclopentanecarboxylic acid 2-dimethylaminoethyl ester Formula: C18H25NO6S MolecularWeight: 383.4592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC(=O)C1(CCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CN(C)CCOC(=O)C1(CCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2S.C2H2O4/c1-17(2)12-13-19-15(18)16(10-6-7-11-16)20-14-8-4-3-5-9-14;3-1(4)2(5)6/h3-5,8-9H,6-7,10-13H2,1-2H3;(H,3,4)(H,5,6)