ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-carbonylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-carbonylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22N2O5S2 MolecularWeight: 446.53978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H22N2O5S2/c1-2-26-20(25)17-13-5-3-4-6-16(13)30-19(17)23-21(29)22-18(24)12-7-8-14-15(11-12)28-10-9-27-14/h7-8,11H,2-6,9-10H2,1H3,(H2,22,23,24,29)