phenethyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate

Systemtic Name: phenethyl 2-[5-(4-chlorophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl]ethanoate Openeye Name: phenethyl 2-[5-(4-chlorophenyl)-4-oxo-thieno[2,3-d]pyrimidin-3-yl]acetate CAS Name: 2-[5-(4-chlorophenyl)-4-oxo-3-thieno[2,3-d]pyrimidinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[5-(4-chlorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetate Traditional Name: 2-[5-(4-chlorophenyl)-4-keto-thieno[2,3-d]pyrimidin-3-yl]acetic acid phenethyl ester Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOC(=O)CN2C=NC3=C(C2=O)C(=CS3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H17ClN2O3S/c23-17-8-6-16(7-9-17)18-13-29-21-20(18)22(27)25(14-24-21)12-19(26)28-11-10-15-4-2-1-3-5-15/h1-9,13-14H,10-12H2