ethyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-(octylcarbamothioylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(octylamino)-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-(octylcarbamothioylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-(octylthiocarbamoylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C(=C(S1)C)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H32N2O2S2/c1-4-6-7-8-9-13-16-24-23(28)25-21-20(22(26)27-5-2)19(17(3)29-21)18-14-11-10-12-15-18/h10-12,14-15H,4-9,13,16H2,1-3H3,(H2,24,25,28)