(4-oxidanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-2-yl)methyl benzoate

Systemtic Name: (4-oxidanylidene-1H-[1]benzothiolo[3,2-d]pyrimidin-2-yl)methyl benzoate Openeye Name: (4-oxo-1H-benzothiopheno[3,2-d]pyrimidin-2-yl)methyl benzoate CAS Name: benzoic acid (4-oxo-1H-[1]benzothiolo[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-[1]benzothiolo[3,2-d]pyrimidin-2-yl)methyl benzoate Traditional Name: benzoic acid (4-keto-1H-benzothiopheno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H12N2O3S MolecularWeight: 336.36448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C4=CC=CC=C4S3

InChI

InChI=1S/C18H12N2O3S/c21-17-16-15(12-8-4-5-9-13(12)24-16)19-14(20-17)10-23-18(22)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,20,21)