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

Systemtic Name: diethyl 5-(1-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(1-adamantylcarbamothioylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1-adamantylamino)-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(1-adamantylcarbamothioylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(1-adamantylthiocarbamoylamino)-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O4S2/c1-4-27-19(25)16-12(3)17(20(26)28-5-2)30-18(16)23-21(29)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h13-15H,4-11H2,1-3H3,(H2,23,24,29)