dicyclohexylazanium; 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylate

Systemtic Name: dicyclohexylazanium; 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylate Openeye Name: dicyclohexylammonium; 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylate CAS Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-1-oxopropyl)-5-methoxy-2,3-dihydroindole-2-carboxylate IUPAC Name: dicyclohexylazanium; 5-methoxy-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylate Traditional Name: dicyclohexylammonium; 1-(3-mercapto-2-methyl-propanoyl)-5-methoxy-indoline-2-carboxylate Formula: C26H40N2O4S MolecularWeight: 476.6718

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)[O-].C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H17NO4S.C12H23N/c1-8(7-20)13(16)15-11-4-3-10(19-2)5-9(11)6-12(15)14(17)18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-5,8,12,20H,6-7H2,1-2H3,(H,17,18);11-13H,1-10H2