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

Systemtic Name: ethyl 2-[(2-chloranyl-4-fluoranyl-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(2-chloro-4-fluoro-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(2-chloro-4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chloro-4-fluorobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-fluoro-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C19H18ClFN2O3S2 MolecularWeight: 440.939223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClFN2O3S2/c1-2-26-18(25)15-12-5-3-4-6-14(12)28-17(15)23-19(27)22-16(24)11-8-7-10(21)9-13(11)20/h7-9H,2-6H2,1H3,(H2,22,23,24,27)