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

Systemtic Name: ethyl 2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(1-tetrahydrofuran-2-ylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[[1-(2-oxolanyl)ethylamino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[1-(tetrahydrofuryl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC(C)C3CCCO3

InChI

InChI=1S/C21H26N2O3S2/c1-3-25-20(24)17-13-16(12-15-8-5-4-6-9-15)28-19(17)23-21(27)22-14(2)18-10-7-11-26-18/h4-6,8-9,13-14,18H,3,7,10-12H2,1-2H3,(H2,22,23,27)