ethyl 4-methyl-3-[(phenylmethyl)amino]-5-phenylsulfanyl-pentanoate

Systemtic Name: ethyl 4-methyl-3-[(phenylmethyl)amino]-5-phenylsulfanyl-pentanoate Openeye Name: ethyl 3-(benzylamino)-4-methyl-5-phenylsulfanyl-pentanoate CAS Name: 4-methyl-3-[(phenylmethyl)amino]-5-(phenylthio)pentanoic acid ethyl ester IUPAC Name: ethyl 3-(benzylamino)-4-methyl-5-phenylsulfanylpentanoate Traditional Name: 3-(benzylamino)-4-methyl-5-(phenylthio)valeric acid ethyl ester Formula: C21H27NO2S MolecularWeight: 357.50958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(C)CSC1=CC=CC=C1)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C(C)CSC1=CC=CC=C1)NCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO2S/c1-3-24-21(23)14-20(22-15-18-10-6-4-7-11-18)17(2)16-25-19-12-8-5-9-13-19/h4-13,17,20,22H,3,14-16H2,1-2H3