diethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(2-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(2-adamantylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-adamantylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C22H30N2O4S2/c1-4-27-20(25)16-11(3)18(21(26)28-5-2)30-19(16)24-22(29)23-17-14-7-12-6-13(9-14)10-15(17)8-12/h12-15,17H,4-10H2,1-3H3,(H2,23,24,29)