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

Systemtic Name: dimethyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(1-adamantyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(1-adamantyl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(1-adamantyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3)C(=O)OC

InChI

InChI=1S/C21H27NO5S/c1-11-16(19(24)26-2)18(28-17(11)20(25)27-3)22-15(23)10-21-7-12-4-13(8-21)6-14(5-12)9-21/h12-14H,4-10H2,1-3H3,(H,22,23)