N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine; ethanedioic acid

Systemtic Name: N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1,1-bis(oxidanylidene)thiolan-3-amine; ethanedioic acid Openeye Name: N-[(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl]-1,1-dioxo-thiolan-3-amine; oxalic acid CAS Name: N-[(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)methyl]-1,1-dioxo-3-thiolanamine; oxalic acid IUPAC Name: N-[(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dioxothiolan-3-amine; oxalic acid Traditional Name: (1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)methyl-(1,1-diketothiolan-3-yl)amine; oxalic acid Formula: C19H30N2O6S MolecularWeight: 414.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)CNC3CCS(=O)(=O)C3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)CNC3CCS(=O)(=O)C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H28N2O2S.C2H2O4/c1-13-10-15(11-18-16-8-9-22(20,21)12-16)14(2)19(13)17-6-4-3-5-7-17;3-1(4)2(5)6/h10,16-18H,3-9,11-12H2,1-2H3;(H,3,4)(H,5,6)