[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxidanylidene-ethyl] 5-chloranylthiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxo-ethyl] 5-chlorothiophene-2-carboxylate CAS Name: 5-chloro-2-thiophenecarboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl] 5-chlorothiophene-2-carboxylate Traditional Name: 5-chlorothiophene-2-carboxylic acid [2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-keto-ethyl] ester Formula: C19H24ClNO3S MolecularWeight: 381.91676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(S4)Cl

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=O)COC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C19H24ClNO3S/c1-11(19-7-12-4-13(8-19)6-14(5-12)9-19)21-17(22)10-24-18(23)15-2-3-16(20)25-15/h2-3,11-14H,4-10H2,1H3,(H,21,22)/t11-,12?,13?,14?,19?/m1/s1