dicyclohexylazanium; 3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)-2H-indole-2-carboxylate

Systemtic Name: dicyclohexylazanium; 3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)-2H-indole-2-carboxylate Openeye Name: dicyclohexylammonium; 3,3-dimethyl-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylate CAS Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-1-oxopropyl)-3,3-dimethyl-2H-indole-2-carboxylate IUPAC Name: dicyclohexylazanium; 3,3-dimethyl-1-(2-methyl-3-sulfanylpropanoyl)-2H-indole-2-carboxylate Traditional Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-propanoyl)-3,3-dimethyl-indoline-2-carboxylate Formula: C27H42N2O3S MolecularWeight: 474.69898

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(CS)C(=O)N1C(C(C2=CC=CC=C21)(C)C)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C15H19NO3S.C12H23N/c1-9(8-20)13(17)16-11-7-5-4-6-10(11)15(2,3)12(16)14(18)19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-7,9,12,20H,8H2,1-3H3,(H,18,19);11-13H,1-10H2