ethyl 2-(2-azanyl-6-methoxy-phenyl)-2-pentylsulfanyl-3-phenyl-propanoate

Systemtic Name: ethyl 2-(2-azanyl-6-methoxy-phenyl)-2-pentylsulfanyl-3-phenyl-propanoate Openeye Name: ethyl 2-(2-amino-6-methoxy-phenyl)-2-pentylsulfanyl-3-phenyl-propanoate CAS Name: 2-(2-amino-6-methoxyphenyl)-2-(pentylthio)-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-6-methoxyphenyl)-2-pentylsulfanyl-3-phenylpropanoate Traditional Name: 2-(2-amino-6-methoxy-phenyl)-2-(amylthio)-3-phenyl-propionic acid ethyl ester Formula: C23H31NO3S MolecularWeight: 401.56214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(CC1=CC=CC=C1)(C2=C(C=CC=C2OC)N)C(=O)OCC

Isomeric SMILES

CCCCCSC(CC1=CC=CC=C1)(C2=C(C=CC=C2OC)N)C(=O)OCC

InChI

InChI=1S/C23H31NO3S/c1-4-6-10-16-28-23(22(25)27-5-2,17-18-12-8-7-9-13-18)21-19(24)14-11-15-20(21)26-3/h7-9,11-15H,4-6,10,16-17,24H2,1-3H3