(2-ethoxynaphthalen-1-yl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (2-ethoxynaphthalen-1-yl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (2-ethoxy-1-naphthyl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (2-ethoxy-1-naphthalenyl)methyl ester IUPAC Name: (2-ethoxynaphthalen-1-yl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 3-(4-ketothieno[2,3-d]pyrimidin-3-yl)propionic acid (2-ethoxy-1-naphthyl)methyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)COC(=O)CCN3C=NC4=C(C3=O)C=CS4

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)COC(=O)CCN3C=NC4=C(C3=O)C=CS4

InChI

InChI=1S/C22H20N2O4S/c1-2-27-19-8-7-15-5-3-4-6-16(15)18(19)13-28-20(25)9-11-24-14-23-21-17(22(24)26)10-12-29-21/h3-8,10,12,14H,2,9,11,13H2,1H3