[2-(1-adamantylamino)-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] (Z)-2,3-bis(2-thienyl)prop-2-enoate CAS Name: (Z)-2,3-dithiophen-2-yl-2-propenoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate Traditional Name: (Z)-2,3-bis(2-thienyl)acrylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C23H25NO3S2 MolecularWeight: 427.5795

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C(=CC4=CC=CS4)C5=CC=CS5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)/C(=C/C4=CC=CS4)/C5=CC=CS5

InChI

InChI=1S/C23H25NO3S2/c25-21(24-23-11-15-7-16(12-23)9-17(8-15)13-23)14-27-22(26)19(20-4-2-6-29-20)10-18-3-1-5-28-18/h1-6,10,15-17H,7-9,11-14H2,(H,24,25)/b19-10+