ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(3-chloranyl-4-fluoranyl-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(3-chloro-4-fluoro-phenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-chloro-4-fluoroanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-chloro-4-fluorophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(3-chloro-4-fluoro-phenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C17H16ClFN2O2S2 MolecularWeight: 398.902543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C17H16ClFN2O2S2/c1-2-23-16(22)14-10-4-3-5-13(10)25-15(14)21-17(24)20-9-6-7-12(19)11(18)8-9/h6-8H,2-5H2,1H3,(H2,20,21,24)