methyl 3-[2-(3-oxidanyl-1-adamantyl)ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(3-oxidanyl-1-adamantyl)ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(3-hydroxy-1-adamantyl)-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-(3-hydroxy-1-adamantyl)acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CC23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C20H27NO4S/c1-25-18(23)6-15(16-3-2-4-26-16)21-17(22)11-19-7-13-5-14(8-19)10-20(24,9-13)12-19/h2-4,13-15,24H,5-12H2,1H3,(H,21,22)