ethyl (3R)-3-(2-aminophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: ethyl (3R)-3-(2-aminophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: ethyl (3R)-3-(2-aminophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: (3R)-3-[(2-aminophenyl)thio]-3-(3,4,5-trimethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (3R)-3-(2-aminophenyl)sulfanyl-3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: (3R)-3-[(2-aminophenyl)thio]-3-(3,4,5-trimethoxyphenyl)propionic acid ethyl ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC(=C(C(=C1)OC)OC)OC)SC2=CC=CC=C2N

Isomeric SMILES

CCOC(=O)C[C@H](C1=CC(=C(C(=C1)OC)OC)OC)SC2=CC=CC=C2N

InChI

InChI=1S/C20H25NO5S/c1-5-26-19(22)12-18(27-17-9-7-6-8-14(17)21)13-10-15(23-2)20(25-4)16(11-13)24-3/h6-11,18H,5,12,21H2,1-4H3/t18-/m1/s1