methyl (2S,3S)-3-(3-azanylthiophen-2-yl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: methyl (2S,3S)-3-(3-azanylthiophen-2-yl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: methyl (2S,3S)-3-[(3-amino-2-thienyl)sulfanyl]-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(3-amino-2-thiophenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-(3-aminothiophen-2-yl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(3-amino-2-thienyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid methyl ester Formula: C15H17NO4S2 MolecularWeight: 339.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)OC)O)SC2=C(C=CS2)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)OC)O)SC2=C(C=CS2)N

InChI

InChI=1S/C15H17NO4S2/c1-19-10-5-3-9(4-6-10)13(12(17)14(18)20-2)22-15-11(16)7-8-21-15/h3-8,12-13,17H,16H2,1-2H3/t12-,13+/m1/s1