methyl 2-(undecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(undecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(undecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-(undecylamino)methyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(undecylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(undecylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

InChI

InChI=1S/C21H34N2O2S2/c1-3-4-5-6-7-8-9-10-11-15-22-21(26)23-19-18(20(24)25-2)16-13-12-14-17(16)27-19/h3-15H2,1-2H3,(H2,22,23,26)