methyl 2-[2-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-6-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate CAS Name: 2-[2-(1,3-benzoxazol-2-ylmethylthio)-4-oxo-1H-pyrimidin-6-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzoxazol-2-ylmethylsulfanyl)-4-oxo-1H-pyrimidin-6-yl]acetate Traditional Name: 2-[2-(1,3-benzoxazol-2-ylmethylthio)-4-keto-1H-pyrimidin-6-yl]acetic acid methyl ester Formula: C15H13N3O4S MolecularWeight: 331.34642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3O2

Isomeric SMILES

COC(=O)CC1=CC(=O)N=C(N1)SCC2=NC3=CC=CC=C3O2

InChI

InChI=1S/C15H13N3O4S/c1-21-14(20)7-9-6-12(19)18-15(16-9)23-8-13-17-10-4-2-3-5-11(10)22-13/h2-6H,7-8H2,1H3,(H,16,18,19)