dimethyl 3-methyl-5-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[(1R)-1,5-dimethylhexyl]carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[(2R)-6-methylheptan-2-yl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[(2R)-6-methylheptan-2-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[(1R)-1,5-dimethylhexyl]thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H28N2O4S2 MolecularWeight: 400.55592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC(C)CCCC(C)C)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N[C@H](C)CCCC(C)C)C(=O)OC

InChI

InChI=1S/C18H28N2O4S2/c1-10(2)8-7-9-11(3)19-18(25)20-15-13(16(21)23-5)12(4)14(26-15)17(22)24-6/h10-11H,7-9H2,1-6H3,(H2,19,20,25)/t11-/m1/s1