ethyl 2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(2R)-oxolan-2-yl]methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-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(=C1)CC2=CC=CC=C2)NC(=S)NCC3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C20H24N2O3S2/c1-2-24-19(23)17-12-16(11-14-7-4-3-5-8-14)27-18(17)22-20(26)21-13-15-9-6-10-25-15/h3-5,7-8,12,15H,2,6,9-11,13H2,1H3,(H2,21,22,26)/t15-/m1/s1