cyclooctyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium

Systemtic Name: cyclooctyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: cyclooctyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: cyclooctyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: cyclooctyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Traditional Name: [(1S)-1-(6-carbethoxy-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]-cyclooctyl-ammonium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH2+]C3CCCCCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+]C3CCCCCCC3)C

InChI

InChI=1S/C20H29N3O3S/c1-4-26-20(25)16-12(2)15-18(24)22-17(23-19(15)27-16)13(3)21-14-10-8-6-5-7-9-11-14/h13-14,21H,4-11H2,1-3H3,(H,22,23,24)/p+1/t13-/m0/s1