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

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-oxidanylidenethieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: (6-chloro-7-methyl-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 (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-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 (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C=NC4=C(C3=O)C=CS4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CCN3C=NC4=C(C3=O)C=CS4)Cl

InChI

InChI=1S/C20H15ClN2O5S/c1-11-6-16-14(8-15(11)21)12(7-18(25)28-16)9-27-17(24)2-4-23-10-22-19-13(20(23)26)3-5-29-19/h3,5-8,10H,2,4,9H2,1H3