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

Systemtic Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O4S2 MolecularWeight: 418.52968

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H22N2O4S2/c1-2-24-19(23)17-13-5-3-4-6-16(13)28-18(17)22-20(27)21-12-7-8-14-15(11-12)26-10-9-25-14/h7-8,11H,2-6,9-10H2,1H3,(H2,21,22,27)