[3-(thiophen-2-ylmethyl)phenyl]sulfanyl 2-azanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: [3-(thiophen-2-ylmethyl)phenyl]sulfanyl 2-azanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: [3-(2-thienylmethyl)phenyl]sulfanyl 2-amino-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: 2-amino-2-hydroxy-3-(4-methoxyphenyl)propanoic acid [[3-(thiophen-2-ylmethyl)phenyl]thio] ester IUPAC Name: [3-(thiophen-2-ylmethyl)phenyl]sulfanyl 2-amino-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: 2-amino-2-hydroxy-3-(4-methoxyphenyl)propionic acid [[3-(2-thenyl)phenyl]thio] ester Formula: C21H21NO4S2 MolecularWeight: 415.52574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)OSC2=CC=CC(=C2)CC3=CC=CS3)(N)O

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)OSC2=CC=CC(=C2)CC3=CC=CS3)(N)O

InChI

InChI=1S/C21H21NO4S2/c1-25-17-9-7-15(8-10-17)14-21(22,24)20(23)26-28-19-5-2-4-16(13-19)12-18-6-3-11-27-18/h2-11,13,24H,12,14,22H2,1H3