ethyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-(1-tetrahydrofuran-2-ylethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[1-(2-oxolanyl)ethylamino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[1-(oxolan-2-yl)ethylcarbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-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(=C1C2=CC=CC=C2)C)NC(=S)NC(C)C3CCCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC(C)C3CCCO3

InChI

InChI=1S/C21H26N2O3S2/c1-4-25-20(24)18-17(15-9-6-5-7-10-15)14(3)28-19(18)23-21(27)22-13(2)16-11-8-12-26-16/h5-7,9-10,13,16H,4,8,11-12H2,1-3H3,(H2,22,23,27)