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

Systemtic Name: dimethyl 5-[2-[1-adamantyl(methyl)amino]ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H30N2O5S MolecularWeight: 434.549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O5S/c1-12-17(20(26)28-3)19(30-18(12)21(27)29-4)23-16(25)11-24(2)22-8-13-5-14(9-22)7-15(6-13)10-22/h13-15H,5-11H2,1-4H3,(H,23,25)