[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] (E)-3-thiophen-2-ylprop-2-enoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] (E)-3-(2-thienyl)prop-2-enoate CAS Name: (E)-3-thiophen-2-yl-2-propenoic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate Traditional Name: (E)-3-(2-thienyl)acrylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)C=CC4=CC=CS4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)COC(=O)/C=C/C4=CC=CS4

InChI

InChI=1S/C20H25NO3S/c22-18(12-24-19(23)4-3-17-2-1-5-25-17)21-13-20-9-14-6-15(10-20)8-16(7-14)11-20/h1-5,14-16H,6-13H2,(H,21,22)/b4-3+