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

Systemtic Name: ethyl 2-(3-cyclopentylpropanoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(3-cyclopentylpropanoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(3-cyclopentyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-cyclopentylpropanoylcarbamothioylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(3-cyclopentylpropanoylthiocarbamoylamino)-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H30N2O3S2 MolecularWeight: 422.6045

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)CCC3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)CCC3CCCC3

InChI

InChI=1S/C21H30N2O3S2/c1-3-26-20(25)18-15-10-8-13(2)12-16(15)28-19(18)23-21(27)22-17(24)11-9-14-6-4-5-7-14/h13-14H,3-12H2,1-2H3,(H2,22,23,24,27)