ethyl 2-[[3,4-bis(fluoranyl)phenyl]carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[[3,4-bis(fluoranyl)phenyl]carbonylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(3,4-difluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3,4-difluorobenzoyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3,4-difluorobenzoyl)thiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H20F2N2O3S2 MolecularWeight: 438.511206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H20F2N2O3S2/c1-3-27-19(26)16-12-6-4-10(2)8-15(12)29-18(16)24-20(28)23-17(25)11-5-7-13(21)14(22)9-11/h5,7,9-10H,3-4,6,8H2,1-2H3,(H2,23,24,25,28)