diethyl 5-(1-adamantylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-(1-adamantylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1-adamantylmethylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1-adamantylmethylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1-adamantylmethylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1-adamantylmethylthiocarbamoylamino)-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)NCC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC23CC4CC(C2)CC(C4)C3

InChI

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