2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-2-ethylsulfanyl-ethanoic acid

Systemtic Name: 2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-2-ethylsulfanyl-ethanoic acid Openeye Name: 2-[4-[1-(2-ethoxyethyl)indol-3-yl]-1-piperidyl]-2-ethylsulfanyl-acetic acid CAS Name: 2-[4-[1-(2-ethoxyethyl)-3-indolyl]-1-piperidinyl]-2-(ethylthio)acetic acid IUPAC Name: 2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidin-1-yl]-2-ethylsulfanylacetic acid Traditional Name: 2-[4-[1-(2-ethoxyethyl)indol-3-yl]piperidino]-2-(ethylthio)acetic acid Formula: C21H30N2O3S MolecularWeight: 390.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)C(C(=O)O)SCC

Isomeric SMILES

CCOCCN1C=C(C2=CC=CC=C21)C3CCN(CC3)C(C(=O)O)SCC

InChI

InChI=1S/C21H30N2O3S/c1-3-26-14-13-23-15-18(17-7-5-6-8-19(17)23)16-9-11-22(12-10-16)20(21(24)25)27-4-2/h5-8,15-16,20H,3-4,9-14H2,1-2H3,(H,24,25)