O2-methyl O4-propyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-methyl O4-propyl 5-[2-(1-adamantyl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-methyl O4-propyl 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 O2-methyl ester O4-propyl ester IUPAC Name: 2-O-methyl 4-O-propyl 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 O2-methyl ester O4-propyl ester Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H31NO5S/c1-4-5-29-21(26)18-13(2)19(22(27)28-3)30-20(18)24-17(25)12-23-9-14-6-15(10-23)8-16(7-14)11-23/h14-16H,4-12H2,1-3H3,(H,24,25)