ethyl 2-(octanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(octanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(octanoylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(octanoylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(caprylylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H30N2O3S2 MolecularWeight: 410.5938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C(=O)OCC

InChI

InChI=1S/C20H30N2O3S2/c1-3-5-6-7-8-13-16(23)21-20(26)22-18-17(19(24)25-4-2)14-11-9-10-12-15(14)27-18/h3-13H2,1-2H3,(H2,21,22,23,26)