ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanyl-butan-2-yl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanyl-butan-2-yl]thiophene-2-carboxylate Openeye Name: ethyl 5-[1-[(tert-butoxycarbonylamino)methyl]-1-sulfanyl-propyl]thiophene-2-carboxylate CAS Name: 5-[2-mercapto-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-sulfanylbutan-2-yl]thiophene-2-carboxylate Traditional Name: 5-[1-[(tert-butoxycarbonylamino)methyl]-1-mercapto-propyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H25NO4S2 MolecularWeight: 359.504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)(C1=CC=C(S1)C(=O)OCC)S

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)(C1=CC=C(S1)C(=O)OCC)S

InChI

InChI=1S/C16H25NO4S2/c1-6-16(22,10-17-14(19)21-15(3,4)5)12-9-8-11(23-12)13(18)20-7-2/h8-9,22H,6-7,10H2,1-5H3,(H,17,19)