ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanyl-propanoate CAS Name: (2S)-2-[(2-hydroxyphenyl)methylamino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(2-hydroxyphenyl)methylamino]-3-sulfanylpropanoate Traditional Name: (2S)-3-mercapto-2-(salicylamino)propionic acid ethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NCC1=CC=CC=C1O

Isomeric SMILES

CCOC(=O)[C@@H](CS)NCC1=CC=CC=C1O

InChI

InChI=1S/C12H17NO3S/c1-2-16-12(15)10(8-17)13-7-9-5-3-4-6-11(9)14/h3-6,10,13-14,17H,2,7-8H2,1H3/t10-/m1/s1