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

Systemtic Name: methyl 2-(octanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(octanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(octanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-(caprylylthiocarbamoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

InChI

InChI=1S/C18H26N2O3S2/c1-3-4-5-6-7-11-14(21)19-18(24)20-16-15(17(22)23-2)12-9-8-10-13(12)25-16/h3-11H2,1-2H3,(H2,19,20,21,24)