ethyl 5-ethyl-2-(2-phenylsulfanylethanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(2-phenylsulfanylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-[(2-phenylsulfanylacetyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-oxo-2-(phenylthio)ethyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-[(2-phenylsulfanylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-(phenylthio)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C18H20N2O3S3 MolecularWeight: 408.558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC(=O)CSC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC(=O)CSC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H20N2O3S3/c1-3-12-10-14(17(22)23-4-2)16(26-12)20-18(24)19-15(21)11-25-13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3,(H2,19,20,21,24)