methyl 5-ethyl-2-(heptan-2-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(heptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(1-methylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[(heptan-2-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(heptan-2-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(1-methylhexylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26N2O2S2/c1-5-7-8-9-11(3)17-16(21)18-14-13(15(19)20-4)10-12(6-2)22-14/h10-11H,5-9H2,1-4H3,(H2,17,18,21)