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

Systemtic Name: dimethyl 5-[[1-adamantyl(methyl)carbamothioyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C21H28N2O4S2 MolecularWeight: 436.58802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N(C)C23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C21H28N2O4S2/c1-11-15(18(24)26-3)17(29-16(11)19(25)27-4)22-20(28)23(2)21-8-12-5-13(9-21)7-14(6-12)10-21/h12-14H,5-10H2,1-4H3,(H,22,28)