methyl 2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(1-tetrahydrofuran-2-ylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[1-(2-oxolanyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(tetrahydrofuryl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(C1CCCO1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

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