methyl 5-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(6-methoxy-6-oxidanylidene-hexyl)carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(6-methoxy-6-oxo-hexyl)carbamothioylamino]thiophene-2-carboxylate CAS Name: 5-[[[(6-methoxy-6-oxohexyl)amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(6-methoxy-6-oxohexyl)carbamothioylamino]thiophene-2-carboxylate Traditional Name: 5-[(6-keto-6-methoxy-hexyl)thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NC1=CC=C(S1)C(=O)OC

Isomeric SMILES

COC(=O)CCCCCNC(=S)NC1=CC=C(S1)C(=O)OC

InChI

InChI=1S/C14H20N2O4S2/c1-19-12(17)6-4-3-5-9-15-14(21)16-11-8-7-10(22-11)13(18)20-2/h7-8H,3-6,9H2,1-2H3,(H2,15,16,21)