ethyl 4,5-dimethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[3-(2-thienyl)prop-2-enoylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-oxo-3-thiophen-2-ylprop-2-enyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(3-thiophen-2-ylprop-2-enoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[3-(2-thienyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C17H18N2O3S3 MolecularWeight: 394.53142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C=CC2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=S)NC(=O)C=CC2=CC=CS2

InChI

InChI=1S/C17H18N2O3S3/c1-4-22-16(21)14-10(2)11(3)25-15(14)19-17(23)18-13(20)8-7-12-6-5-9-24-12/h5-9H,4H2,1-3H3,(H2,18,19,20,23)