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

Systemtic Name: methyl 2-[2-[1-adamantyl(methyl)amino]ethanoylamino]-5-aminocarbonyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S/c1-11-16(20(27)28-3)19(29-17(11)18(22)26)23-15(25)10-24(2)21-7-12-4-13(8-21)6-14(5-12)9-21/h12-14H,4-10H2,1-3H3,(H2,22,26)(H,23,25)