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

Systemtic Name: diethyl 5-[1-(1-adamantyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[1-(1-adamantyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[1-(1-adamantyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[1-(1-adamantyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[1-(1-adamantyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H34N2O4S2 MolecularWeight: 478.66776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O4S2/c1-5-29-21(27)18-13(3)19(22(28)30-6-2)32-20(18)26-23(31)25-14(4)24-10-15-7-16(11-24)9-17(8-15)12-24/h14-17H,5-12H2,1-4H3,(H2,25,26,31)