(phenylmethyl) 2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[(4-oxidanylidene-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]ethanoate Openeye Name: benzyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate CAS Name: 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetate Traditional Name: 2-[(4-keto-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]acetic acid benzyl ester Formula: C21H18N2O3S2 MolecularWeight: 410.50922

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S2/c24-18(26-13-15-7-3-1-4-8-15)14-28-21-22-17-11-12-27-19(17)20(25)23(21)16-9-5-2-6-10-16/h1-10H,11-14H2