1,3-benzodioxol-5-yl 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: 1,3-benzodioxol-5-yl 3-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: 1,3-benzodioxol-5-yl 3-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 3-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid 1,3-benzodioxol-5-yl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCC(=O)OC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C18H16N2O5S/c1-10-11(2)26-17-16(10)18(22)20(8-19-17)6-5-15(21)25-12-3-4-13-14(7-12)24-9-23-13/h3-4,7-8H,5-6,9H2,1-2H3