dimethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-(1,1,3,3-tetramethylbutylcarbamothioylamino)thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[sulfanylidene-(2,4,4-trimethylpentan-2-ylamino)methyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-(2,4,4-trimethylpentan-2-ylcarbamothioylamino)thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-(1,1,3,3-tetramethylbutylthiocarbamoylamino)thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)(C)CC(C)(C)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-10-11(14(21)23-7)13(26-12(10)15(22)24-8)19-16(25)20-18(5,6)9-17(2,3)4/h9H2,1-8H3,(H2,19,20,25)