ethyl 2-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2,4-bis(chloranyl)phenoxy]propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2,4-dichlorophenoxy)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2,4-dichlorophenoxy)propanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(2,4-dichlorophenoxy)propanoylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H22Cl2N2O4S2 MolecularWeight: 501.44638

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C(C)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H22Cl2N2O4S2/c1-3-28-20(27)17-13-6-4-5-7-16(13)31-19(17)25-21(30)24-18(26)11(2)29-15-9-8-12(22)10-14(15)23/h8-11H,3-7H2,1-2H3,(H2,24,25,26,30)