ethyl 4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-fluorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C19H21FN2O3S2 MolecularWeight: 408.510043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C19H21FN2O3S2/c1-2-24-18(23)16-15(12-5-7-13(20)8-6-12)11-27-17(16)22-19(26)21-10-14-4-3-9-25-14/h5-8,11,14H,2-4,9-10H2,1H3,(H2,21,22,26)/t14-/m1/s1