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

Systemtic Name: ethyl 4,5-dimethyl-2-(2-thiophen-2-ylethanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[2-(2-thienyl)acetyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[(1-oxo-2-thiophen-2-ylethyl)amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[(2-thiophen-2-ylacetyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(2-thienyl)acetyl]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C16H18N2O3S3 MolecularWeight: 382.52072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O3S3/c1-4-21-15(20)13-9(2)10(3)24-14(13)18-16(22)17-12(19)8-11-6-5-7-23-11/h5-7H,4,8H2,1-3H3,(H2,17,18,19,22)