diethyl 5-[[1-adamantyl(methyl)carbamothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[1-adamantyl(methyl)carbamothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[1-adamantyl(methyl)carbamothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-adamantyl(methyl)amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[1-adamantyl(methyl)carbamothioyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[1-adamantyl(methyl)thiocarbamoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H32N2O4S2 MolecularWeight: 464.64118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H32N2O4S2/c1-5-28-20(26)17-13(3)18(21(27)29-6-2)31-19(17)24-22(30)25(4)23-10-14-7-15(11-23)9-16(8-14)12-23/h14-16H,5-12H2,1-4H3,(H,24,30)