(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 3-(4-oxo-3-thieno[2,3-d]pyrimidinyl)propanoic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-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-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C=NC4=C(C3=O)C=CS4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)CCN3C=NC4=C(C3=O)C=CS4)C

InChI

InChI=1S/C21H18N2O5S/c1-12-3-4-15-14(9-18(25)28-19(15)13(12)2)10-27-17(24)5-7-23-11-22-20-16(21(23)26)6-8-29-20/h3-4,6,8-9,11H,5,7,10H2,1-2H3