3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; propanedioic acid

Systemtic Name: 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; propanedioic acid Openeye Name: 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenyl-propan-1-amine; malonic acid CAS Name: 3-[2-(ethylthio)phenoxy]-N-methyl-3-phenyl-1-propanamine; propanedioic acid IUPAC Name: 3-(2-ethylsulfanylphenoxy)-N-methyl-3-phenylpropan-1-amine; propanedioic acid Traditional Name: [3-[2-(ethylthio)phenoxy]-3-phenyl-propyl]-methyl-amine; malonic acid Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C(C(=O)O)C(=O)O

Isomeric SMILES

CCSC1=CC=CC=C1OC(CCNC)C2=CC=CC=C2.C(C(=O)O)C(=O)O

InChI

InChI=1S/C18H23NOS.C3H4O4/c1-3-21-18-12-8-7-11-17(18)20-16(13-14-19-2)15-9-5-4-6-10-15;4-2(5)1-3(6)7/h4-12,16,19H,3,13-14H2,1-2H3;1H2,(H,4,5)(H,6,7)