[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CSC=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)CCC4=CSC=C4

InChI

InChI=1S/C20H27NO3S/c22-18(11-24-19(23)2-1-14-3-4-25-12-14)21-13-20-8-15-5-16(9-20)7-17(6-15)10-20/h3-4,12,15-17H,1-2,5-11,13H2,(H,21,22)