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

Systemtic Name: propan-2-yl 2-[2-(1-adamantyl)ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]-5-carbamoyl-4-methyl-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]-5-carbamoyl-4-methyl-thiophene-3-carboxylic acid isopropyl ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4S/c1-11(2)28-21(27)17-12(3)18(19(23)26)29-20(17)24-16(25)10-22-7-13-4-14(8-22)6-15(5-13)9-22/h11,13-15H,4-10H2,1-3H3,(H2,23,26)(H,24,25)