2-diethylaminoethyl 1-phenylsulfanylcyclohexane-1-carboxylate; ethanedioic acid

Systemtic Name: 2-diethylaminoethyl 1-phenylsulfanylcyclohexane-1-carboxylate; ethanedioic acid Openeye Name: 2-diethylaminoethyl 1-phenylsulfanylcyclohexanecarboxylate; oxalic acid CAS Name: oxalic acid; 1-(phenylthio)-1-cyclohexanecarboxylic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 1-phenylsulfanylcyclohexane-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-(phenylthio)cyclohexanecarboxylic acid 2-diethylaminoethyl ester Formula: C21H31NO6S MolecularWeight: 425.53894

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C1(CCCCC1)SC2=CC=CC=C2.C(=O)(C(=O)O)O

InChI

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