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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(1S)-1-(6-ethoxycarbonyl-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(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]-piperonyl-ammonium Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)[NH2+]CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)[NH2+]CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C20H21N3O5S/c1-4-26-20(25)16-10(2)15-18(24)22-17(23-19(15)29-16)11(3)21-8-12-5-6-13-14(7-12)28-9-27-13/h5-7,11,21H,4,8-9H2,1-3H3,(H,22,23,24)/p+1/t11-/m0/s1