methyl 5-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[(octylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(octylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(octylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H26N2O2S2 MolecularWeight: 342.51984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)NC1=C(C=C(S1)C)C(=O)OC

Isomeric SMILES

CCCCCCCCNC(=S)NC1=C(C=C(S1)C)C(=O)OC

InChI

InChI=1S/C16H26N2O2S2/c1-4-5-6-7-8-9-10-17-16(21)18-14-13(15(19)20-3)11-12(2)22-14/h11H,4-10H2,1-3H3,(H2,17,18,21)