ethanedioic acid; 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate

Systemtic Name: ethanedioic acid; 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate Openeye Name: 2-morpholinoethyl 1-phenylsulfanylcyclohexanecarboxylate; oxalic acid CAS Name: oxalic acid; 1-(phenylthio)-1-cyclohexanecarboxylic acid 2-(4-morpholinyl)ethyl ester IUPAC Name: 2-morpholin-4-ylethyl 1-phenylsulfanylcyclohexane-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-(phenylthio)cyclohexanecarboxylic acid 2-morpholinoethyl ester Formula: C21H29NO7S MolecularWeight: 439.52246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C(=O)OCCN2CCOCC2)SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCC(CC1)(C(=O)OCCN2CCOCC2)SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H27NO3S.C2H2O4/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)24-17-7-3-1-4-8-17;3-1(4)2(5)6/h1,3-4,7-8H,2,5-6,9-16H2;(H,3,4)(H,5,6)