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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-[(3-methylphenyl)methoxy]benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(m-tolylmethoxy)benzoate CAS Name: 2-[(3-methylphenyl)methoxy]benzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-[(3-methylphenyl)methoxy]benzoate Traditional Name: 2-(3-methylbenzyl)oxybenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CC1=CC(=CC=C1)COC2=CC=CC=C2C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C22H18N2O4S/c1-14-5-4-6-15(11-14)12-27-18-8-3-2-7-16(18)22(26)28-13-19-23-17-9-10-29-20(17)21(25)24-19/h2-11H,12-13H2,1H3,(H,23,24,25)