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

Systemtic Name: ethyl 2-[(2-fluorophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-fluorophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(2-fluoroanilino)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-fluorophenyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(2-fluorophenyl)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid ethyl ester Formula: C17H17FN2O2S2 MolecularWeight: 364.457483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC2)NC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C17H17FN2O2S2/c1-2-22-16(21)14-10-6-5-9-13(10)24-15(14)20-17(23)19-12-8-4-3-7-11(12)18/h3-4,7-8H,2,5-6,9H2,1H3,(H2,19,20,23)