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

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H19FN2O3S2 MolecularWeight: 394.483463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O3S2/c1-23-17(22)15-14(11-4-6-12(19)7-5-11)10-26-16(15)21-18(25)20-9-13-3-2-8-24-13/h4-7,10,13H,2-3,8-9H2,1H3,(H2,20,21,25)/t13-/m1/s1