2-azanyl-3-sulfanyl-propanoic acid; 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene

Systemtic Name: 2-azanyl-3-sulfanyl-propanoic acid; 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene Openeye Name: 2-amino-3-sulfanyl-propanoic acid; 1-(tert-butoxymethyl)-4-methoxy-benzene CAS Name: 2-amino-3-mercaptopropanoic acid; 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene IUPAC Name: 2-amino-3-sulfanylpropanoic acid; 1-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]benzene Traditional Name: 2-amino-3-mercapto-propionic acid; 1-(tert-butoxymethyl)-4-methoxy-benzene Formula: C15H25NO4S MolecularWeight: 315.4283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OCC1=CC=C(C=C1)OC.C(C(C(=O)O)N)S

Isomeric SMILES

CC(C)(C)OCC1=CC=C(C=C1)OC.C(C(C(=O)O)N)S

InChI

InChI=1S/C12H18O2.C3H7NO2S/c1-12(2,3)14-9-10-5-7-11(13-4)8-6-10;4-2(1-7)3(5)6/h5-8H,9H2,1-4H3;2,7H,1,4H2,(H,5,6)