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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-5-6-7-8-9-10-11-19-18(25)20-15-13(16(21)23-3)12(2)14(26-15)17(22)24-4/h5-11H2,1-4H3,(H2,19,20,25)