methyl 5-methyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 2-(1-ethylpropylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(pentan-3-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(pentan-3-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 2-(1-ethylpropylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=S)NC1=C(C=C(S1)C)C(=O)OC

Isomeric SMILES

CCC(CC)NC(=S)NC1=C(C=C(S1)C)C(=O)OC

InChI

InChI=1S/C13H20N2O2S2/c1-5-9(6-2)14-13(18)15-11-10(12(16)17-4)7-8(3)19-11/h7,9H,5-6H2,1-4H3,(H2,14,15,18)