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

Systemtic Name: ethyl 4,5-dimethyl-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C15H22N2O3S2 MolecularWeight: 342.47678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C(=C(S1)C)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C(=C(S1)C)C)C(=O)OCC

InChI

InChI=1S/C15H22N2O3S2/c1-5-7-8-11(18)16-15(21)17-13-12(14(19)20-6-2)9(3)10(4)22-13/h5-8H2,1-4H3,(H2,16,17,18,21)