methyl 2-(oxolan-2-ylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(oxolan-2-ylmethylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(tetrahydrofuran-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-oxolanylmethylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(oxolan-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(tetrahydrofurfurylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O3S2 MolecularWeight: 390.51958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3CCCO3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NCC3CCCO3

InChI

InChI=1S/C19H22N2O3S2/c1-23-18(22)16-11-15(10-13-6-3-2-4-7-13)26-17(16)21-19(25)20-12-14-8-5-9-24-14/h2-4,6-7,11,14H,5,8-10,12H2,1H3,(H2,20,21,25)