propan-2-yl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[1-adamantyl(methyl)amino]-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[1-adamantyl(methyl)amino]acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C23H33N3O4S MolecularWeight: 447.59082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N3O4S/c1-12(2)30-22(29)18-13(3)19(20(24)28)31-21(18)25-17(27)11-26(4)23-8-14-5-15(9-23)7-16(6-14)10-23/h12,14-16H,5-11H2,1-4H3,(H2,24,28)(H,25,27)