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

Systemtic Name: ethyl 2-(octanoylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H28N2O3S2 MolecularWeight: 396.56722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O3S2/c1-3-5-6-7-8-12-15(22)20-19(25)21-17-16(18(23)24-4-2)13-10-9-11-14(13)26-17/h3-12H2,1-2H3,(H2,20,21,22,25)