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

Systemtic Name: dimethyl 5-(2-ethylhexylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(2-ethylhexylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(2-ethylhexylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(2-ethylhexylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-6-8-9-12(7-2)10-19-18(25)20-15-13(16(21)23-4)11(3)14(26-15)17(22)24-5/h12H,6-10H2,1-5H3,(H2,19,20,25)