ethyl 3-methyl-5-(3-methylbutanoylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(3-methylbutanoylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(3-methylbutanoylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(3-methylbutanoylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 5-(isovalerylthiocarbamoylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C14H20N2O3S2 MolecularWeight: 328.4502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)CC(C)C)C

InChI

InChI=1S/C14H20N2O3S2/c1-5-19-13(18)12-9(4)7-11(21-12)16-14(20)15-10(17)6-8(2)3/h7-8H,5-6H2,1-4H3,(H2,15,16,17,20)