3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(5-chloro-1-oxo-indan-2-yl)sulfanyl-propanoic acid CAS Name: 3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[(5-chloro-1-keto-indan-2-yl)thio]propionic acid Formula: C17H20ClNO5S MolecularWeight: 385.8624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C17H20ClNO5S/c1-17(2,3)24-16(23)19-12(15(21)22)8-25-13-7-9-6-10(18)4-5-11(9)14(13)20/h4-6,12-13H,7-8H2,1-3H3,(H,19,23)(H,21,22)