ethyl 3-(2-ethylsulfanyl-1H-indol-3-yl)-2-[(phenylmethyl)amino]propanoate

Systemtic Name: ethyl 3-(2-ethylsulfanyl-1H-indol-3-yl)-2-[(phenylmethyl)amino]propanoate Openeye Name: ethyl 2-(benzylamino)-3-(2-ethylsulfanyl-1H-indol-3-yl)propanoate CAS Name: 3-[2-(ethylthio)-1H-indol-3-yl]-2-[(phenylmethyl)amino]propanoic acid ethyl ester IUPAC Name: ethyl 2-(benzylamino)-3-(2-ethylsulfanyl-1H-indol-3-yl)propanoate Traditional Name: 2-(benzylamino)-3-[2-(ethylthio)-1H-indol-3-yl]propionic acid ethyl ester Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CC1=C(NC2=CC=CC=C21)SCC)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-3-26-22(25)20(23-15-16-10-6-5-7-11-16)14-18-17-12-8-9-13-19(17)24-21(18)27-4-2/h5-13,20,23-24H,3-4,14-15H2,1-2H3