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

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O3S2/c1-3-24-19(23)17-16(14-8-6-13(2)7-9-14)12-27-18(17)22-20(26)21-11-15-5-4-10-25-15/h6-9,12,15H,3-5,10-11H2,1-2H3,(H2,21,22,26)/t15-/m1/s1